 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104136/Gau-50108.inp" -scrdir="/scratch/9104136/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     50111.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer08_M11_def2SVPD
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer08_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Polar=
 ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:49:39 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H(Iso=2)              1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H                    -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           2           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   2.0141018   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           2           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.8574380   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           1           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   1.0078250   2.0141018
 NucSpn=           2           1           1           1           2           1           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   2.7928460   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:49:39 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9849691           3.7651866           3.7192509
 Leave Link  202 at Thu Jan 27 11:49:39 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   206 symmetry adapted cartesian basis functions of A   symmetry.
 There are   196 symmetry adapted basis functions of A   symmetry.
   196 basis functions,   280 primitive gaussians,   206 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jan 27 11:49:40 2022, MaxMem=  5368709120 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   196 RedAO= T EigKep=  1.86D-05  NBF=   196
 NBsUse=   196 1.00D-06 EigRej= -1.00D+00 NBFU=   196
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   206   206   206   206   206 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:49:40 2022, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:49:40 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer08_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:49:40 2022, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368620381 LenY=  5368577504
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.470816168900    
 DIIS: error= 7.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.470816168900     IErMin= 1 ErrMin= 7.53D-03
 ErrMax= 7.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-03 BMatP= 6.46D-03
 IDIUse=3 WtCom= 9.25D-01 WtEn= 7.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.518 Goal=   None    Shift=    0.000
 GapD=    0.518 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.27D-03 MaxDP=4.59D-01              OVMax= 1.42D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.14D-03    CP:  9.48D-01
 E= -197.477978715666     Delta-E=       -0.007162546766 Rises=F Damp=F
 DIIS: error= 1.11D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.477978715666     IErMin= 2 ErrMin= 1.11D-03
 ErrMax= 1.11D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-04 BMatP= 6.46D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.11D-02
 Coeff-Com: -0.105D+00 0.110D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.104D+00 0.110D+01
 Gap=     0.474 Goal=   None    Shift=    0.000
 RMSDP=1.08D-03 MaxDP=6.64D-02 DE=-7.16D-03 OVMax= 4.62D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.81D-04    CP:  9.65D-01  1.12D+00
 E= -197.478238261274     Delta-E=       -0.000259545608 Rises=F Damp=F
 DIIS: error= 2.19D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.478238261274     IErMin= 3 ErrMin= 2.19D-04
 ErrMax= 2.19D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-05 BMatP= 1.37D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.19D-03
 Coeff-Com: -0.281D-01 0.177D+00 0.851D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.280D-01 0.177D+00 0.851D+00
 Gap=     0.474 Goal=   None    Shift=    0.000
 RMSDP=7.33D-05 MaxDP=2.11D-03 DE=-2.60D-04 OVMax= 9.95D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.84D-05    CP:  9.65D-01  1.12D+00  1.03D+00
 E= -197.478251544545     Delta-E=       -0.000013283271 Rises=F Damp=F
 DIIS: error= 1.71D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.478251544545     IErMin= 4 ErrMin= 1.71D-04
 ErrMax= 1.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-06 BMatP= 1.33D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.71D-03
 Coeff-Com:  0.243D-02-0.743D-01 0.262D+00 0.810D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.243D-02-0.742D-01 0.262D+00 0.810D+00
 Gap=     0.473 Goal=   None    Shift=    0.000
 RMSDP=3.37D-05 MaxDP=3.26D-03 DE=-1.33D-05 OVMax= 4.75D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.26D-05    CP:  9.65D-01  1.12D+00  1.06D+00  9.99D-01
 E= -197.478254275081     Delta-E=       -0.000002730536 Rises=F Damp=F
 DIIS: error= 1.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.478254275081     IErMin= 5 ErrMin= 1.76D-05
 ErrMax= 1.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-08 BMatP= 2.47D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-02-0.169D-01 0.729D-02 0.150D+00 0.858D+00
 Coeff:      0.131D-02-0.169D-01 0.729D-02 0.150D+00 0.858D+00
 Gap=     0.474 Goal=   None    Shift=    0.000
 RMSDP=7.43D-06 MaxDP=5.67D-04 DE=-2.73D-06 OVMax= 8.47D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.55D-06    CP:  9.65D-01  1.12D+00  1.06D+00  1.05D+00  9.08D-01
 E= -197.478254347886     Delta-E=       -0.000000072805 Rises=F Damp=F
 DIIS: error= 6.98D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.478254347886     IErMin= 6 ErrMin= 6.98D-06
 ErrMax= 6.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-09 BMatP= 6.25D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-03-0.243D-02-0.137D-01 0.634D-02 0.270D+00 0.739D+00
 Coeff:      0.361D-03-0.243D-02-0.137D-01 0.634D-02 0.270D+00 0.739D+00
 Gap=     0.474 Goal=   None    Shift=    0.000
 RMSDP=2.39D-06 MaxDP=4.03D-05 DE=-7.28D-08 OVMax= 1.69D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.25D-06    CP:  9.65D-01  1.12D+00  1.06D+00  1.07D+00  9.30D-01
                    CP:  1.07D+00
 E= -197.478254356296     Delta-E=       -0.000000008410 Rises=F Damp=F
 DIIS: error= 1.67D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.478254356296     IErMin= 7 ErrMin= 1.67D-06
 ErrMax= 1.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.52D-10 BMatP= 7.42D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-03 0.180D-02-0.259D-02-0.137D-01-0.610D-01 0.567D-01
 Coeff-Com:  0.102D+01
 Coeff:     -0.116D-03 0.180D-02-0.259D-02-0.137D-01-0.610D-01 0.567D-01
 Coeff:      0.102D+01
 Gap=     0.474 Goal=   None    Shift=    0.000
 RMSDP=7.58D-07 MaxDP=4.67D-05 DE=-8.41D-09 OVMax= 6.41D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.76D-07    CP:  9.65D-01  1.12D+00  1.06D+00  1.08D+00  9.29D-01
                    CP:  1.18D+00  1.02D+00
 E= -197.478254356749     Delta-E=       -0.000000000453 Rises=F Damp=F
 DIIS: error= 1.73D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.478254356749     IErMin= 8 ErrMin= 1.73D-07
 ErrMax= 1.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-12 BMatP= 2.52D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-04-0.233D-03 0.477D-03 0.235D-02 0.713D-02-0.305D-01
 Coeff-Com: -0.176D+00 0.120D+01
 Coeff:      0.105D-04-0.233D-03 0.477D-03 0.235D-02 0.713D-02-0.305D-01
 Coeff:     -0.176D+00 0.120D+01
 Gap=     0.474 Goal=   None    Shift=    0.000
 RMSDP=2.20D-07 MaxDP=3.39D-05 DE=-4.53D-10 OVMax= 8.41D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.62D-08    CP:  9.65D-01  1.12D+00  1.06D+00  1.08D+00  9.29D-01
                    CP:  1.19D+00  1.05D+00  1.22D+00
 E= -197.478254356752     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 1.00D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -197.478254356752     IErMin= 9 ErrMin= 1.00D-08
 ErrMax= 1.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-14 BMatP= 3.25D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.954D-06 0.261D-04-0.633D-04-0.276D-03-0.679D-03 0.493D-02
 Coeff-Com:  0.200D-01-0.190D+00 0.117D+01
 Coeff:     -0.954D-06 0.261D-04-0.633D-04-0.276D-03-0.679D-03 0.493D-02
 Coeff:      0.200D-01-0.190D+00 0.117D+01
 Gap=     0.474 Goal=   None    Shift=    0.000
 RMSDP=1.92D-08 MaxDP=2.82D-06 DE=-3.07D-12 OVMax= 6.64D-08

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.29D-09    CP:  9.65D-01  1.12D+00  1.06D+00  1.08D+00  9.29D-01
                    CP:  1.19D+00  1.05D+00  1.23D+00  1.15D+00
 E= -197.478254356754     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 1.72D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -197.478254356754     IErMin=10 ErrMin= 1.72D-09
 ErrMax= 1.72D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-16 BMatP= 1.42D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.831D-07-0.355D-05 0.104D-04 0.404D-04 0.697D-04-0.918D-03
 Coeff-Com: -0.247D-02 0.309D-01-0.276D+00 0.125D+01
 Coeff:      0.831D-07-0.355D-05 0.104D-04 0.404D-04 0.697D-04-0.918D-03
 Coeff:     -0.247D-02 0.309D-01-0.276D+00 0.125D+01
 Gap=     0.474 Goal=   None    Shift=    0.000
 RMSDP=1.26D-09 MaxDP=3.50D-08 DE=-1.99D-12 OVMax= 1.30D-08

 SCF Done:  E(RM11) =  -197.478254357     A.U. after   10 cycles
            NFock= 10  Conv=0.13D-08     -V/T= 2.0138
 KE= 1.947841992390D+02 PE=-8.519812456771D+02 EE= 2.611244907189D+02
 Leave Link  502 at Thu Jan 27 11:50:13 2022, MaxMem=  5368709120 cpu:             263.4 elap:              33.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   196
 NBasis=   196 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    196 NOA=    21 NOB=    21 NVA=   175 NVB=   175

 **** Warning!!: The largest alpha MO coefficient is  0.11570155D+03

 Leave Link  801 at Thu Jan 27 11:50:13 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5144 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.12D-14 8.33D-09 XBig12= 1.00D+00 2.49D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.12D-14 8.33D-09 XBig12= 7.10D-02 6.11D-02.
     11 vectors produced by pass  2 Test12= 6.12D-14 8.33D-09 XBig12= 6.89D-03 1.37D-02.
     11 vectors produced by pass  3 Test12= 6.12D-14 8.33D-09 XBig12= 7.35D-04 5.43D-03.
     11 vectors produced by pass  4 Test12= 6.12D-14 8.33D-09 XBig12= 1.90D-05 1.17D-03.
     11 vectors produced by pass  5 Test12= 6.12D-14 8.33D-09 XBig12= 1.94D-07 1.31D-04.
     11 vectors produced by pass  6 Test12= 6.12D-14 8.33D-09 XBig12= 3.22D-09 1.20D-05.
     11 vectors produced by pass  7 Test12= 6.12D-14 8.33D-09 XBig12= 4.25D-11 1.47D-06.
     11 vectors produced by pass  8 Test12= 6.12D-14 8.33D-09 XBig12= 6.95D-13 2.29D-07.
      3 vectors produced by pass  9 Test12= 6.12D-14 8.33D-09 XBig12= 7.27D-15 1.46D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   102 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.655234D+02
      2 -0.421156D-02  0.655227D+02
      3 -0.253888D-01 -0.269000D-01  0.655267D+02
 Isotropic polarizability for W=    0.085645       65.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.611655D+00  0.269568D-01  0.235673D+01
      2   0.293316D+01 -0.183011D+01 -0.853957D+00
      3  -0.232150D+01  0.180315D+01 -0.150278D+01
      4  -0.349088D-01  0.288252D+01  0.303062D+01
      5   0.227263D+01  0.305398D+01 -0.240748D+01
      6   0.305564D+01 -0.979431D+00  0.173317D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.106268D-01  0.501950D-01 -0.316130D-01
      2  -0.740560D-01 -0.187066D-01 -0.116059D-01
      3   0.347183D-01 -0.545415D-01  0.100367D-01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.233644D-01 -0.125473D+00  0.699771D-01
      2   0.841071D-01 -0.250201D-01 -0.859803D-01
      3  -0.618657D-01  0.506389D-01  0.165570D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.150613D-02  0.794474D-03  0.237609D-03
      2   0.794474D-03  0.407673D-02  0.121192D-01
      3   0.237609D-03  0.121192D-01 -0.362597D-02
 OR G Eigenvalues:    -0.0125     0.0015     0.0130  Iso=    -0.0007
 Eigenvectors:
   (1)   0.019832  -0.590772   0.806595
   (2)   0.997496  -0.043086  -0.056083
   (3)   0.067885   0.805688   0.588438
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0007 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =       -0.43 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   19306 ScalPx= 2.03D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.95D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.02D-14 2.78D-09 XBig12= 1.00D+00 5.15D-01.
     30 vectors produced by pass  1 Test12= 1.02D-14 2.78D-09 XBig12= 1.38D-02 2.34D-02.
     30 vectors produced by pass  2 Test12= 1.02D-14 2.78D-09 XBig12= 1.33D-03 7.40D-03.
     30 vectors produced by pass  3 Test12= 1.02D-14 2.78D-09 XBig12= 1.63D-05 1.21D-03.
     30 vectors produced by pass  4 Test12= 1.02D-14 2.78D-09 XBig12= 5.20D-07 1.27D-04.
     30 vectors produced by pass  5 Test12= 1.02D-14 2.78D-09 XBig12= 3.89D-09 1.16D-05.
     30 vectors produced by pass  6 Test12= 1.02D-14 2.78D-09 XBig12= 3.78D-11 8.35D-07.
     28 vectors produced by pass  7 Test12= 1.02D-14 2.78D-09 XBig12= 2.88D-13 9.47D-08.
      4 vectors produced by pass  8 Test12= 1.02D-14 2.78D-09 XBig12= 1.57D-15 6.68D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.11D-15
 Solved reduced A of dimension   242 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 6.79D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 6.79D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.64D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.655234D+02 -0.421156D-02 -0.253888D-01
      2  -0.421156D-02  0.655227D+02 -0.269000D-01
      3  -0.253888D-01 -0.269000D-01  0.655267D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.106268D-01  0.501950D-01 -0.316130D-01
      2  -0.740560D-01 -0.187066D-01 -0.116059D-01
      3   0.347183D-01 -0.545415D-01  0.100367D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.611655D+00  0.269568D-01  0.235673D+01
      2   0.293316D+01 -0.183011D+01 -0.853957D+00
      3  -0.232150D+01  0.180315D+01 -0.150278D+01
      4  -0.349088D-01  0.288252D+01  0.303062D+01
      5   0.227263D+01  0.305398D+01 -0.240748D+01
      6   0.305564D+01 -0.979431D+00  0.173317D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.101968D+01  0.225107D-01  0.358144D+01  0.149717D-01  0.446543D+01
      2   0.225107D-01  0.445629D+01  0.481111D+01  0.446543D+01 -0.280658D+01
      3   0.358144D+01  0.481111D+01 -0.354489D+01  0.480093D+01 -0.130943D+01
                 6             7             8             9            10 
      1   0.480093D+01  0.359679D+01  0.479547D+01 -0.350668D+01 -0.801287D+00
      2  -0.130943D+01  0.479547D+01 -0.131999D+01  0.273246D+01 -0.353919D-01
      3   0.270532D+01 -0.350668D+01  0.273246D+01 -0.223316D+01 -0.260317D+01
                11            12            13            14            15 
      1  -0.353919D-01 -0.260317D+01  0.190370D+00 -0.434119D+01 -0.383197D+01
      2  -0.358778D+01 -0.382962D+01 -0.434119D+01  0.141273D+01  0.179672D+01
      3  -0.382962D+01  0.295039D+01 -0.383197D+01  0.179672D+01 -0.193598D+01
                16            17            18            19            20 
      1  -0.313420D+01 -0.379996D+01  0.220750D+01  0.226639D+01  0.328478D+00
      2  -0.379996D+01  0.128638D+01 -0.216589D+01  0.328478D+00 -0.355159D+01
      3   0.220750D+01 -0.216589D+01  0.312186D+01 -0.245108D+01 -0.396926D+01
                21            22            23            24            25 
      1  -0.245108D+01 -0.270976D+00 -0.298587D+01 -0.399632D+01 -0.289110D+01
      2  -0.396926D+01 -0.298587D+01  0.359619D+01  0.126263D+01 -0.400153D+01
      3   0.262752D+01 -0.399632D+01  0.126263D+01 -0.203035D+01  0.322022D+01
                26            27            28            29            30 
      1  -0.400153D+01  0.322022D+01  0.197519D+01 -0.806696D+00 -0.291986D+01
      2   0.884802D+00 -0.145015D+01 -0.806696D+00 -0.381328D+01 -0.379017D+01
      3  -0.145015D+01  0.290013D+01 -0.291986D+01 -0.379017D+01  0.278477D+01
                31            32            33            34            35 
      1   0.259226D-01 -0.342276D+01 -0.380769D+01 -0.263319D+01 -0.378568D+01
      2  -0.342276D+01  0.597065D+00  0.100102D+01 -0.378568D+01  0.130488D+01
      3  -0.380769D+01  0.100102D+01 -0.227073D+01  0.321312D+01 -0.311781D+01
                36            37            38            39            40 
      1   0.321312D+01 -0.345333D+00  0.479958D+00 -0.359688D+01  0.681985D-01
      2  -0.311781D+01  0.479958D+00 -0.333653D+01 -0.385422D+01 -0.369913D+01
      3   0.839807D+00 -0.359688D+01 -0.385422D+01  0.303188D+01 -0.386798D+01
                41            42            43            44            45 
      1  -0.369913D+01 -0.386798D+01 -0.278433D+01 -0.385981D+01  0.264412D+01
      2   0.327874D+01  0.188506D+00 -0.385981D+01  0.104523D+01 -0.203472D+01
      3   0.188506D+00 -0.238125D+01  0.264412D+01 -0.203472D+01  0.110951D+00
                46            47            48            49            50 
      1  -0.777018D+00  0.508313D+00 -0.740449D+00  0.664988D+00  0.258842D+00
      2   0.508313D+00 -0.439436D+00  0.939177D+00  0.258842D+00  0.196365D+01
      3  -0.740449D+00  0.939177D+00 -0.199307D+01  0.356760D+00 -0.218025D+01
                51            52            53            54            55 
      1   0.356760D+00 -0.991669D+00  0.409183D+00 -0.361688D+00  0.340115D+01
      2  -0.218025D+01  0.409183D+00 -0.203624D+01  0.257010D+01 -0.194330D+01
      3   0.269374D+01 -0.361688D+00  0.257010D+01 -0.720184D+01 -0.106946D+01
                56            57            58            59            60 
      1  -0.194330D+01 -0.106946D+01 -0.308686D+01  0.278735D+01  0.170723D+01
      2   0.209857D+01  0.105898D+01  0.278735D+01 -0.455167D+01 -0.169356D+01
      3   0.105898D+01  0.842893D+00  0.170723D+01 -0.169356D+01 -0.182772D+01
                61            62            63            64            65 
      1  -0.712121D+00  0.101488D+01  0.100121D+01  0.520831D+01  0.246717D+01
      2   0.101488D+01 -0.114466D+01 -0.103083D+01  0.246717D+01  0.239034D+01
      3   0.100121D+01 -0.103083D+01 -0.180843D+01  0.894992D+00  0.714440D+00
                66            67            68            69            70 
      1   0.894992D+00  0.293951D+01  0.286776D+01  0.650307D+00  0.225073D+01
      2   0.714440D+00  0.286776D+01  0.322204D+01  0.404481D+00  0.127703D+01
      3   0.788503D+00  0.650307D+00  0.404481D+00  0.116757D+01  0.850207D+00
                71            72            73            74            75 
      1   0.127703D+01  0.850207D+00 -0.246719D+01  0.340982D+00 -0.176770D+01
      2   0.114146D+01  0.103834D+01  0.340982D+00 -0.252315D+00  0.660557D+00
      3   0.103834D+01  0.975142D+00 -0.176770D+01  0.660557D+00 -0.225540D+01
                76            77            78            79            80 
      1   0.121957D+01 -0.367225D+00  0.126622D+01 -0.210696D+01  0.588663D+00
      2  -0.367225D+00  0.882542D+00 -0.127310D+01  0.588663D+00 -0.141547D+01
      3   0.126622D+01 -0.127310D+01  0.215013D+01 -0.290964D+01  0.896950D+00
                81            82            83            84            85 
      1  -0.290964D+01 -0.628533D+01 -0.194154D+01  0.192988D+01 -0.126553D+01
      2   0.896950D+00 -0.194154D+01 -0.136350D+01  0.841569D+00 -0.120012D+01
      3  -0.651147D+01  0.192988D+01  0.841569D+00 -0.184981D+01  0.807752D+00
                86            87            88            89            90 
      1  -0.120012D+01  0.807752D+00  0.327444D+01  0.143977D+01 -0.208168D+01
      2  -0.165439D+01  0.533652D+00  0.143977D+01  0.128189D+01 -0.612194D+00
      3   0.533652D+00 -0.311794D+00 -0.208168D+01 -0.612194D+00  0.197542D+01
                91            92            93            94            95 
      1   0.109985D+01 -0.132264D+01 -0.235058D+00 -0.137085D+01  0.115787D+01
      2  -0.132264D+01  0.272294D+01  0.110328D+01  0.115787D+01 -0.757712D+01
      3  -0.235058D+00  0.110328D+01  0.705006D+00  0.553856D+00 -0.217771D+01
                96            97            98            99           100 
      1   0.553856D+00 -0.151457D+00  0.597156D+00  0.408893D-01 -0.214425D+01
      2  -0.217771D+01  0.597156D+00 -0.174099D+01 -0.148429D+01  0.148122D+01
      3  -0.154822D+01  0.408893D-01 -0.148429D+01 -0.160984D+01 -0.106478D+01
               101           102           103           104           105 
      1   0.148122D+01 -0.106478D+01  0.109796D+01 -0.107209D+01  0.107617D+01
      2  -0.105317D+01  0.114788D+01 -0.107209D+01  0.322617D+01 -0.188637D+01
      3   0.114788D+01 -0.151332D+01  0.107617D+01 -0.188637D+01  0.179430D+01
               106           107           108           109           110 
      1  -0.177729D+01  0.173338D+01 -0.188416D+01  0.220777D+01  0.177232D+01
      2   0.173338D+01 -0.323492D+01  0.251849D+01  0.177232D+01  0.331726D+01
      3  -0.188416D+01  0.251849D+01 -0.415555D+01  0.131767D+01  0.150622D+01
               111           112           113           114           115 
      1   0.131767D+01  0.138083D+01  0.182772D+01  0.971222D+00  0.121107D+01
      2   0.150622D+01  0.182772D+01  0.502891D+01  0.186015D+01  0.986463D+00
      3   0.124609D+01  0.971222D+00  0.186015D+01  0.174739D+01  0.640041D+00
               116           117           118           119           120 
      1   0.986463D+00  0.640041D+00 -0.561758D+01  0.600608D+00  0.298179D+01
      2   0.213052D+01  0.215147D+01  0.600608D+00 -0.922576D+00  0.257612D-01
      3   0.215147D+01  0.215465D+01  0.298179D+01  0.257612D-01 -0.271164D+01
               121           122           123           124           125 
      1  -0.716766D+00 -0.491177D+00  0.644219D+00  0.313380D+01 -0.450754D-01
      2  -0.491177D+00 -0.315822D+00  0.544378D+00 -0.450754D-01  0.940039D+00
      3   0.644219D+00  0.544378D+00 -0.323692D+00 -0.284336D+01  0.617275D+00
               126           127           128           129           130 
      1  -0.284336D+01  0.255381D+01 -0.225495D+01  0.494248D+00 -0.229923D+01
      2   0.617275D+00 -0.225495D+01  0.283551D+01  0.143902D+00  0.299896D+01
      3   0.341889D+01  0.494248D+00  0.143902D+00  0.485171D+00  0.116624D+00
               131           132           133           134           135 
      1   0.299896D+01  0.116624D+00 -0.341402D+00  0.737519D+00  0.272428D+00
      2  -0.682460D+01  0.363583D+00  0.737519D+00 -0.111211D+01 -0.688549D+00
      3   0.363583D+00 -0.115285D+01  0.272428D+00 -0.688549D+00 -0.423652D+00
               136           137           138           139           140 
      1  -0.325429D+01 -0.947965D+00  0.259317D+01 -0.650080D+00 -0.535765D+00
      2  -0.947965D+00 -0.114912D+01  0.142962D+01 -0.535765D+00 -0.142116D+01
      3   0.259317D+01  0.142962D+01 -0.380061D+01  0.887203D+00  0.125999D+01
               141           142           143           144           145 
      1   0.887203D+00  0.205131D+01  0.913535D+00 -0.230466D+01  0.399949D+01
      2   0.125999D+01  0.913535D+00  0.109384D+01 -0.120911D+01  0.125091D+01
      3  -0.921300D+00 -0.230466D+01 -0.120911D+01  0.508154D+01  0.265523D+01
               146           147           148           149           150 
      1   0.125091D+01  0.265523D+01  0.205796D+01  0.175140D+01  0.166546D+01
      2   0.164837D+01  0.106077D+01  0.175140D+01  0.194330D+01  0.130531D+01
      3   0.106077D+01  0.220651D+01  0.166546D+01  0.130531D+01  0.244544D+01
               151           152           153 
      1   0.200556D+01  0.999011D+00  0.180214D+01
      2   0.999011D+00  0.895349D+00  0.126846D+01
      3   0.180214D+01  0.126846D+01  0.336556D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.467867D-02  0.239866D-01 -0.196134D-01  0.164962D-01 -0.357527D-02
      2   0.132368D-01  0.163144D-01  0.497567D+01 -0.134308D-01 -0.288803D-01
      3   0.136817D-01 -0.499573D+01 -0.195247D-02  0.498465D+01 -0.406679D-02
                 6             7             8             9            10 
      1  -0.498461D+01  0.391848D-02  0.495958D+01 -0.494701D-01  0.101756D+01
      2   0.200426D-01 -0.497815D+01 -0.921043D-02  0.256369D-01 -0.646835D+01
      3   0.197121D-01  0.172979D-01  0.104420D-01  0.124308D-01 -0.917363D+00
                11            12            13            14            15 
      1   0.619778D+01  0.342173D+01  0.780775D+01 -0.176662D+01 -0.429679D+01
      2  -0.569912D+01  0.348303D+01 -0.527954D+01 -0.247519D+01 -0.724829D+01
      3   0.361830D+01  0.468140D+01  0.969668D+01 -0.296318D+01 -0.534663D+01
                16            17            18            19            20 
      1   0.399885D+01  0.899391D+00  0.747485D+00 -0.308209D+01 -0.186831D+01
      2  -0.360067D+01 -0.784194D+01  0.878433D+01  0.606902D+01  0.587231D+01
      3   0.424123D+01 -0.385723D+01  0.384209D+01 -0.378361D+01 -0.712137D+01
                21            22            23            24            25 
      1   0.681921D+01 -0.291468D+01 -0.274566D+01 -0.535338D+01  0.823548D+01
      2  -0.319129D+01  0.487186D+01 -0.402335D+01 -0.145544D+01 -0.919265D+01
      3  -0.278438D+01 -0.595885D+00  0.931350D+01  0.693181D+01 -0.179042D+01
                26            27            28            29            30 
      1   0.382667D+00  0.567963D+01  0.415975D+01  0.429417D+01 -0.665255D+01
      2  -0.285468D+01 -0.193681D+01  0.112617D+01  0.433323D+01  0.750075D+00
      3   0.593921D+01 -0.538885D+01  0.403677D+01 -0.827129D+01 -0.849027D+01
                31            32            33            34            35 
      1   0.469521D+01 -0.220398D+01  0.278534D+01 -0.793764D+01  0.942682D+01
      2   0.354981D+01  0.684712D+00  0.424765D+01 -0.407129D+01  0.559390D+01
      3  -0.114698D+01 -0.647740D+01 -0.538661D+01 -0.766750D+01 -0.490230D+01
                36            37            38            39            40 
      1  -0.178907D+01 -0.222158D+01 -0.847914D+01 -0.360579D+01 -0.968698D+01
      2  -0.174409D+01 -0.638164D+00 -0.434532D+01  0.112593D+02 -0.310318D+01
      3   0.232218D+01  0.641124D+00 -0.590172D+00  0.655666D+01  0.446944D+01
                41            42            43            44            45 
      1   0.662656D+01 -0.533230D+01 -0.413781D+01  0.158005D+01 -0.451353D+01
      2   0.572870D+01  0.447404D+01  0.445421D+01  0.493116D+01 -0.522334D+01
      3   0.213314D+00  0.397358D+01  0.528073D+01  0.279559D+01 -0.779846D+00
                46            47            48            49            50 
      1  -0.311299D+00  0.737079D+00  0.364319D-01 -0.415073D+00 -0.223055D+01
      2  -0.273927D+01  0.176152D+01 -0.238200D+01  0.255894D+01 -0.249458D+01
      3  -0.142087D+01 -0.781786D-01 -0.144879D+01  0.138982D+01 -0.211276D+01
                51            52            53            54            55 
      1   0.114335D+00 -0.456284D+00  0.387312D+01  0.687387D+00  0.259092D+01
      2   0.420205D+01 -0.487429D+01  0.425601D+01 -0.981364D+01  0.262137D+01
      3   0.289633D+01 -0.216975D+01  0.277731D+01 -0.380610D+01  0.276738D+01
                56            57            58            59            60 
      1  -0.361446D+01 -0.734070D+00 -0.348850D+01  0.674865D+01  0.137549D+00
      2  -0.706773D+00  0.147622D+01 -0.177822D+01  0.898467D+00 -0.172407D+01
      3  -0.549842D+01 -0.187217D+01 -0.252835D+01  0.880887D+01  0.259693D+01
                61            62            63            64            65 
      1  -0.155693D+01  0.283298D+01  0.105040D+01 -0.316713D+01 -0.276976D+01
      2  -0.638485D+00 -0.599881D-01 -0.162596D+01  0.631655D+01  0.402032D+01
      3  -0.144271D+01  0.266044D+01  0.162623D+01 -0.384334D+00 -0.443189D+01
                66            67            68            69            70 
      1  -0.237520D+01 -0.323219D+01 -0.312541D+01 -0.289631D+01 -0.162452D+01
      2   0.447075D+01  0.391678D+01  0.378961D+01  0.394652D+01  0.225134D+01
      3  -0.860896D+00 -0.107490D+01 -0.429427D+01 -0.545547D+00 -0.197533D+00
                71            72            73            74            75 
      1  -0.740423D+00 -0.226314D+01 -0.208972D+01  0.195000D+01 -0.318902D+01
      2   0.281536D+01  0.323967D+01 -0.872607D+00 -0.683117D+00  0.264125D+01
      3  -0.183059D+01 -0.119217D+01  0.250256D+01 -0.202573D+01  0.275726D+01
                76            77            78            79            80 
      1   0.142704D+01 -0.304577D+01  0.240917D+01 -0.358250D+01  0.526925D+01
      2   0.401329D+00  0.128321D+01 -0.190341D+01 -0.844521D+00 -0.878263D+00
      3  -0.486512D+00  0.198235D+01 -0.270707D+01  0.251892D+01 -0.366178D+01
                81            82            83            84            85 
      1  -0.739556D+01  0.384657D+01  0.114552D+01 -0.377195D+01  0.183259D+01
      2   0.599863D+01 -0.639015D+01 -0.242441D+01  0.667792D+01 -0.201309D+01
      3   0.446679D+01  0.515419D+01 -0.179934D+01 -0.141746D+01  0.124541D+01
                86            87            88            89            90 
      1   0.134676D+01 -0.179248D+01 -0.327769D+01 -0.511713D-01  0.330131D+01
      2  -0.137662D+01  0.167529D+01  0.362807D+01  0.153998D+01 -0.541233D+01
      3  -0.112112D+01 -0.460847D+00 -0.238809D+01  0.112335D+01  0.174835D+01
                91            92            93            94            95 
      1   0.937460D+00 -0.132041D+01  0.799555D+00 -0.514505D+00  0.440733D+01
      2   0.162671D+01 -0.221333D+01  0.171683D+00 -0.279898D+01  0.363202D+01
      3  -0.390712D+01  0.346643D+01  0.127711D+01  0.631799D+01 -0.946121D+01
                96            97            98            99           100 
      1  -0.257007D+01 -0.575620D+00  0.974823D+00 -0.118161D+01  0.212397D+01
      2   0.166813D+01 -0.122964D+01  0.204703D+01  0.140471D+01  0.953352D+00
      3  -0.311159D+01  0.160408D+01 -0.280957D+01 -0.148134D+01 -0.239269D+01
               101           102           103           104           105 
      1  -0.181176D+01  0.383865D+01 -0.229818D+01  0.325628D+01 -0.548342D+01
      2  -0.157230D+01  0.313483D+01 -0.760381D+00  0.211598D+01 -0.283628D+01
      3   0.233229D-01 -0.540787D+00  0.225174D+01  0.149751D+01  0.195038D+00
               106           107           108           109           110 
      1   0.348094D+01 -0.280978D+01  0.896967D+01 -0.132702D+01 -0.591836D-01
      2   0.302235D+00 -0.265426D+01  0.540266D+01 -0.297753D+01 -0.199500D+01
      3  -0.229615D+01 -0.889674D+00 -0.821043D+00  0.631790D+01  0.364523D+01
               111           112           113           114           115 
      1  -0.226985D+01 -0.837139D+00  0.178237D+00 -0.378755D+01 -0.594173D+00
      2  -0.302963D+00 -0.246629D+01 -0.244633D+01 -0.129404D+01 -0.254634D+01
      3   0.331927D+01  0.606680D+01  0.601177D+01  0.327475D+01  0.401794D+01
               116           117           118           119           120 
      1  -0.865299D+00 -0.299583D+01 -0.442687D+01 -0.199113D+01  0.446364D+01
      2  -0.200337D+01 -0.129153D+01  0.114876D+01 -0.395671D+00  0.320211D+01
      3   0.287935D+01  0.261725D+01 -0.787237D+01 -0.268009D+01  0.481327D+01
               121           122           123           124           125 
      1  -0.105873D+01 -0.124472D+01 -0.663566D-01  0.429127D+01  0.163972D+01
      2   0.139159D-01 -0.254684D+00  0.222471D+00 -0.685899D+00 -0.468930D+00
      3  -0.540278D+00 -0.137395D+01  0.131561D+01  0.507275D+01  0.234041D+01
               126           127           128           129           130 
      1  -0.465951D+01 -0.278644D+01  0.466752D+01  0.191539D+01  0.469946D+01
      2  -0.272147D+01 -0.305337D+01  0.335629D+01  0.120825D+01  0.356055D+01
      3  -0.383698D+01 -0.158422D+01 -0.143851D+01 -0.590997D+00  0.238827D+01
               131           132           133           134           135 
      1  -0.971709D+01 -0.366270D+01  0.111900D+01 -0.124348D+01 -0.181985D+01
      2  -0.443912D+01 -0.232800D+01 -0.206077D+00 -0.136979D+01 -0.975804D+00
      3   0.300801D+01 -0.269565D+00  0.132630D+00  0.356554D+00  0.246547D+00
               136           137           138           139           140 
      1   0.729125D+00 -0.182922D+01 -0.136262D+01  0.908208D-01 -0.144747D+01
      2   0.819447D+01  0.207160D+01 -0.418332D+01  0.218720D+01  0.131317D+01
      3   0.388943D+01 -0.424505D+00 -0.279876D+01  0.182385D+01  0.739737D+00
               141           142           143           144           145 
      1  -0.579973D-01 -0.487272D+00  0.257606D+01  0.260182D+01  0.401148D+01
      2  -0.178856D+01 -0.708134D+01 -0.216412D+01  0.552127D+01 -0.494630D+01
      3  -0.140126D+01 -0.301281D+01 -0.504928D+00  0.266145D+01 -0.305371D+01
               146           147           148           149           150 
      1   0.472732D+01  0.268607D+01  0.389272D+01  0.498221D+01  0.206721D+01
      2  -0.141171D+01 -0.621164D+00 -0.284728D+01 -0.190712D+01  0.121897D+00
      3  -0.416563D+01 -0.258087D+01 -0.149576D+01 -0.377454D+01 -0.199098D+01
               151           152           153 
      1   0.309424D+01  0.406327D+01  0.361223D+01
      2  -0.345247D+01 -0.871438D+00  0.384403D+00
      3  -0.192062D+01 -0.242658D+01 -0.223698D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.351328D+01 -0.278413D+01  0.255519D+01 -0.278089D+01 -0.142378D+01
      2  -0.133720D+01  0.297429D+01 -0.114315D+01  0.299202D+01  0.104919D+01
      3  -0.217608D+01 -0.190158D+00 -0.141204D+01 -0.211132D+00  0.374587D+00
      4  -0.275760D+01 -0.253368D+01 -0.725439D+00 -0.252626D+01  0.296853D+01
      5   0.249512D+01 -0.727206D+00 -0.340190D+01 -0.764979D+00 -0.112497D+01
      6  -0.739481D+00 -0.118110D+01 -0.176991D+00 -0.114853D+01 -0.342024D+01
                 6             7             8             9            10 
      1  -0.743651D+00  0.251342D+01 -0.789356D+00 -0.222158D+01 -0.585651D+01
      2  -0.339098D+01 -0.115414D+01 -0.338950D+01  0.342174D+00 -0.355911D+01
      3   0.413463D+01 -0.135928D+01  0.417885D+01  0.187941D+01  0.941563D+01
      4  -0.115638D+01 -0.755635D+00 -0.119766D+01 -0.193022D+00 -0.140341D+01
      5  -0.266815D+00 -0.333780D+01 -0.212939D+00 -0.138543D+01 -0.577887D+01
      6  -0.751311D+00 -0.194140D+00 -0.773072D+00  0.424762D+01 -0.409814D+01
                11            12            13            14            15 
      1  -0.443916D+01 -0.168538D+01 -0.417193D+01 -0.814979D+01 -0.140827D+02
      2  -0.605970D+01  0.359400D+01 -0.538779D+01  0.485685D+01  0.175108D+01
      3   0.104989D+02 -0.190861D+01  0.955972D+01  0.329293D+01  0.123316D+02
      4  -0.122608D+02 -0.988722D+01 -0.138067D+02  0.242561D+01  0.184309D+01
      5  -0.856341D+01  0.610040D+01 -0.963073D+01  0.685147D+01  0.305398D+01
      6   0.387183D+01  0.880823D+01  0.495702D+01 -0.384354D+01 -0.716647D+01
                16            17            18            19            20 
      1  -0.298419D+01 -0.143165D+02  0.135913D+02 -0.867725D+01 -0.937476D+01
      2   0.297286D+01  0.220606D+01 -0.128725D+01  0.242566D+01  0.660042D+01
      3   0.113321D-01  0.121105D+02 -0.123040D+02  0.625160D+01  0.277434D+01
      4  -0.110424D+02  0.484177D+00 -0.119017D+01 -0.405208D+01  0.133710D+01
      5   0.600327D+01  0.218703D+01 -0.107491D+01  0.508214D+01  0.692002D+01
      6   0.696779D+01 -0.700352D+01  0.786424D+01  0.626789D+01  0.108521D+02
                21            22            23            24            25 
      1   0.516314D+01 -0.869278D+01  0.138830D+02  0.915245D+01  0.636980D+01
      2   0.871867D+01  0.465468D+01 -0.141941D+02 -0.113272D+02  0.780827D+01
      3  -0.138818D+02  0.403810D+01  0.311054D+00  0.217474D+01 -0.141781D+02
      4   0.107040D+02  0.234994D+01  0.322422D+01  0.454956D+01  0.119483D+02
      5  -0.595449D+01  0.745413D+01  0.387905D+01  0.836683D+01 -0.730338D+01
      6   0.345092D+00  0.953696D+01 -0.754380D+01 -0.170040D+01  0.599917D-02
                26            27            28            29            30 
      1   0.991180D+01 -0.526383D+01 -0.320513D+01  0.720670D+01  0.109734D+02
      2  -0.109483D+02  0.114725D+02  0.482446D+01 -0.922114D+01 -0.167317D+02
      3   0.103651D+01 -0.620871D+01 -0.161933D+01  0.201444D+01  0.575831D+01
      4   0.494416D+01  0.489109D+00  0.217492D+01 -0.106254D+01 -0.232713D+01
      5   0.673827D+01 -0.906612D+01  0.652940D+01  0.284677D+01 -0.104354D+02
      6  -0.114371D+01  0.108948D+01 -0.557271D+01 -0.132022D+02  0.423026D+01
                31            32            33            34            35 
      1   0.647128D+01  0.540678D+01  0.590374D+01  0.111774D+02  0.480953D+01
      2  -0.802056D+01 -0.253183D+01 -0.583310D+00 -0.164942D+02  0.864182D-01
      3   0.154928D+01 -0.287495D+01 -0.532043D+01  0.531687D+01 -0.489595D+01
      4   0.177157D+00 -0.102529D+02 -0.111870D+02 -0.134982D+01 -0.122095D+02
      5   0.478523D+01 -0.658700D+01  0.581705D+00 -0.106628D+02  0.238591D+01
      6  -0.120654D+02  0.214670D+01 -0.850949D+01  0.522453D+01 -0.992181D+01
                36            37            38            39            40 
      1  -0.188267D+01  0.280660D+01  0.181767D+01 -0.103441D+02  0.175632D+01
      2  -0.277348D+01  0.413774D+01  0.136340D+02  0.258038D+01  0.136011D+02
      3   0.465615D+01 -0.694434D+01 -0.154517D+02  0.776370D+01 -0.153574D+02
      4   0.819551D+01 -0.138520D+01 -0.771942D+01  0.191007D+00 -0.824081D+01
      5   0.130564D+00 -0.204899D+01 -0.256110D+01 -0.104763D+02 -0.386832D+01
      6   0.283842D+01  0.187755D+01 -0.339095D+01 -0.134071D+02 -0.418629D+01
                41            42            43            44            45 
      1  -0.297320D+01 -0.228004D+01 -0.105027D+02 -0.156501D+01  0.431794D+00
      2  -0.735341D+01  0.414479D+01  0.404141D+01  0.271189D+01  0.351166D+01
      3   0.103266D+02 -0.186475D+01  0.646127D+01 -0.114688D+01 -0.394346D+01
      4   0.933341D+01  0.299352D+01 -0.649701D+00  0.515814D+01 -0.783480D+01
      5  -0.608733D+01 -0.122045D+02 -0.866831D+01 -0.113088D+02  0.764046D+01
      6   0.327502D+01  0.631488D+00 -0.123174D+02  0.125229D+01 -0.485177D+01
                46            47            48            49            50 
      1  -0.221587D+01  0.332592D+01 -0.566222D+01  0.265055D+01 -0.634425D+01
      2  -0.384377D+00 -0.994710D+00 -0.134817D+01 -0.756011D+00  0.244246D+01
      3   0.260025D+01 -0.233121D+01  0.701039D+01 -0.189454D+01  0.390180D+01
      4  -0.639499D+00  0.234760D+01 -0.300000D+00  0.359532D+01  0.249595D+01
      5   0.281185D+01 -0.870893D+00  0.320474D+01 -0.163194D+01 -0.288446D+01
      6  -0.217891D+01  0.269377D+01 -0.369790D+01  0.226625D+00 -0.917430D+01
                51            52            53            54            55 
      1   0.943899D+01 -0.396320D+01  0.926140D+01 -0.203448D+02  0.133665D+02
      2  -0.157003D+00  0.100530D+01 -0.172009D+00 -0.103924D+02 -0.761278D+01
      3  -0.928199D+01  0.295790D+01 -0.908939D+01  0.307373D+02 -0.575369D+01
      4  -0.307973D+01 -0.758622D+00 -0.327545D+01  0.372396D+01 -0.846186D+01
      5   0.352931D+01  0.539967D+01  0.309275D+01 -0.927952D+01 -0.988008D+01
      6   0.118964D+02 -0.135638D+01  0.115222D+02 -0.157440D+02  0.511006D+01
                56            57            58            59            60 
      1  -0.609672D+01 -0.317779D+01 -0.843693D+01  0.312323D+01  0.151570D+01
      2   0.446541D+01  0.392237D+01  0.570506D+01  0.666550D+00 -0.380528D+01
      3   0.163131D+01 -0.744574D+00  0.273187D+01 -0.378978D+01  0.228958D+01
      4   0.104011D+02  0.415538D+01  0.120275D+02 -0.158237D+02 -0.499781D+01
      5   0.692183D+01  0.694463D+01  0.985076D+01 -0.773915D+01 -0.851395D+01
      6  -0.520639D+01 -0.357021D+01 -0.633902D+01  0.121647D+02  0.736921D+01
                61            62            63            64            65 
      1  -0.178035D+01  0.154828D+01 -0.104078D+01  0.230557D+02  0.931215D+01
      2   0.362603D+01 -0.281233D+01 -0.392226D+01 -0.632852D+01  0.787761D+00
      3  -0.184568D+01  0.126405D+01  0.496304D+01 -0.167272D+02 -0.100999D+02
      4   0.378077D+01 -0.364222D+01 -0.385290D+01  0.153609D+02  0.133585D+02
      5   0.681457D+01 -0.571675D+01 -0.692689D+01 -0.175087D+01 -0.113573D+00
      6  -0.387809D+01  0.640227D+01  0.345854D+01 -0.162104D+01 -0.257855D+01
                66            67            68            69            70 
      1   0.404429D+01  0.101258D+02  0.523470D+01  0.288724D+01  0.774597D+01
      2  -0.315797D+00  0.939861D+00  0.586863D+01  0.171024D+01 -0.194802D+01
      3  -0.372850D+01 -0.110657D+02 -0.111033D+02 -0.459749D+01 -0.579795D+01
      4   0.338287D+01  0.148530D+02  0.142581D+02  0.232674D+01  0.577584D+01
      5   0.443858D+01 -0.751176D+00 -0.991867D+00  0.355659D+01  0.360805D+01
      6   0.552348D+00 -0.272670D+01 -0.200653D+01  0.327972D+01  0.655207D+00
                71            72            73            74            75 
      1   0.324397D+01  0.175809D+01  0.751492D+01 -0.529518D+00  0.363159D+01
      2   0.211695D+01 -0.531596D-01 -0.852111D+01  0.153686D+01 -0.892982D+01
      3  -0.536093D+01 -0.170493D+01  0.100619D+01 -0.100734D+01  0.529823D+01
      4   0.494357D+01  0.390880D+01  0.132225D+01  0.273121D+01 -0.472365D+00
      5   0.274470D+01  0.455142D+01  0.103055D+02 -0.281524D+01  0.128485D+02
      6   0.238234D+01  0.103667D+01  0.413536D+00  0.357682D+00  0.191241D+01
                76            77            78            79            80 
      1  -0.236354D+01 -0.139666D+01 -0.632454D+00  0.356632D+01 -0.152036D+01
      2   0.321120D+01 -0.134560D+01  0.693585D+01 -0.998948D+01  0.558881D+01
      3  -0.847662D+00  0.274226D+01 -0.630340D+01  0.642317D+01 -0.406845D+01
      4   0.213356D+01 -0.371838D+01  0.286408D+01  0.175147D+00  0.364735D+01
      5  -0.540325D+01  0.345209D+01 -0.642668D+01  0.142942D+02 -0.329443D+01
      6   0.599798D+00 -0.238636D+01  0.362774D+01  0.225029D+01  0.487592D+01
                81            82            83            84            85 
      1  -0.331063D+01  0.263110D+02  0.592108D+01 -0.783736D+01  0.420083D+01
      2  -0.191253D+02 -0.813025D+01  0.120036D+01  0.914599D+00  0.187274D+01
      3   0.224360D+02 -0.181807D+02 -0.712144D+01  0.692277D+01 -0.607357D+01
      4  -0.120996D+00  0.173599D+02  0.105158D+02 -0.581098D+01  0.938110D+01
      5   0.211848D+02 -0.398006D+01 -0.135067D+01  0.729369D+01 -0.133442D+01
      6   0.434249D+01 -0.393830D+01 -0.203228D+01  0.430778D+01 -0.237622D+01
                86            87            88            89            90 
      1   0.119640D+01 -0.175324D+01 -0.110295D+02 -0.199716D+01  0.528712D+01
      2   0.435900D+01 -0.279873D+00  0.222864D+01 -0.154173D+01 -0.309845D+01
      3  -0.555541D+01  0.203311D+01  0.880087D+01  0.353889D+01 -0.218867D+01
      4   0.688134D+01 -0.403943D+01 -0.882067D+01 -0.667702D+01  0.469176D+01
      5  -0.186248D+01  0.603553D+00  0.731892D+01  0.145833D+01 -0.681753D+01
      6  -0.534770D+00  0.294860D+01  0.432925D+01  0.302859D+01 -0.584499D+01
                91            92            93            94            95 
      1  -0.239573D+01  0.798943D+01  0.228774D+01  0.605386D+01 -0.222842D+02
      2   0.420536D+01 -0.969471D+01 -0.189249D+01 -0.578037D+01  0.325880D+02
      3  -0.180963D+01  0.170528D+01 -0.395245D+00 -0.273495D+00 -0.103038D+02
      4  -0.375064D+01  0.423957D+01  0.266587D+00  0.552748D+01  0.434734D+01
      5  -0.315261D+01  0.185659D+01  0.207075D+01  0.227549D+01 -0.358547D+00
      6   0.244562D+01 -0.590081D+01 -0.427184D+01 -0.312775D+01  0.178243D+02
                96            97            98            99           100 
      1  -0.798064D+01  0.104174D+01 -0.736195D+01 -0.526362D+01  0.463633D+01
      2   0.716198D+01 -0.158889D+01  0.602365D+01  0.239707D+01  0.447757D+00
      3   0.818657D+00  0.547157D+00  0.133831D+01  0.286655D+01 -0.508409D+01
      4   0.117057D+01  0.544473D-01  0.929729D+00  0.403238D+00 -0.896265D+01
      5   0.353430D+00  0.275032D+01 -0.742282D-01  0.141427D+01  0.361719D+01
      6   0.108888D+02 -0.187692D+01  0.103688D+02  0.706218D+01 -0.384835D+01
               101           102           103           104           105 
      1  -0.188248D+01  0.115447D+01 -0.937855D+00 -0.560262D+01  0.191343D+01
      2  -0.296260D+01  0.238069D+01 -0.361779D+01  0.139694D+02 -0.666062D+01
      3   0.484508D+01 -0.353517D+01  0.455564D+01 -0.836675D+01  0.474719D+01
      4   0.865409D+01 -0.558350D+01  0.770963D+01 -0.916328D+01  0.688231D+01
      5  -0.311468D+01  0.660513D+01 -0.265395D+01  0.433900D+01 -0.358627D+01
      6   0.465559D+01 -0.522283D+01  0.467002D+01 -0.824344D+01  0.954185D+01
               106           107           108           109           110 
      1   0.194010D+01  0.354039D+01 -0.254957D+01 -0.289463D+01 -0.823518D+01
      2   0.251706D+01 -0.989403D+01  0.301188D+01  0.438109D+01  0.123360D+02
      3  -0.445716D+01  0.635365D+01 -0.462309D+00 -0.148646D+01 -0.410078D+01
      4  -0.822785D+01  0.979341D+01 -0.777420D+01  0.927621D+01  0.733104D+01
      5   0.707555D+01 -0.479965D+01  0.934579D+01  0.304920D+01  0.185296D+01
      6  -0.600858D+01  0.112863D+02 -0.156857D+02  0.548453D+01  0.790480D+01
               111           112           113           114           115 
      1  -0.530249D+01 -0.597210D+01 -0.161502D+02 -0.781271D+01 -0.441067D+01
      2   0.398327D+01  0.803010D+01  0.242029D+02  0.766597D+01  0.344681D+01
      3   0.131923D+01 -0.205800D+01 -0.805268D+01  0.146747D+00  0.963863D+00
      4   0.401651D+01  0.682024D+01  0.524591D+01  0.289970D+01  0.400925D+01
      5   0.369590D+01  0.131591D+01  0.156386D+01  0.211925D+00  0.396752D+01
      6   0.623396D+01  0.552328D+01  0.130642D+02  0.106880D+02  0.378210D+01
               116           117           118           119           120 
      1  -0.845913D+01 -0.737382D+01  0.187752D+02  0.340984D+00 -0.741699D+01
      2   0.804053D+01  0.420687D+01 -0.136371D+02 -0.236158D+01  0.966296D+01
      3   0.418604D+00  0.316695D+01 -0.513802D+01  0.202060D+01 -0.224597D+01
      4   0.268866D+01  0.162554D+01 -0.119043D+02  0.621710D+01  0.627229D+01
      5   0.338545D+00  0.118448D+01 -0.158587D+02  0.871405D+00  0.131903D+02
      6   0.119855D+02  0.102117D+02  0.666946D+01 -0.181425D+01 -0.643420D+01
               121           122           123           124           125 
      1   0.265887D+01  0.110351D+01 -0.140806D+01 -0.762979D+01 -0.164925D+01
      2  -0.314701D+01 -0.118966D+01  0.311181D+01  0.984665D+01  0.276211D+01
      3   0.488141D+00  0.861571D-01 -0.170375D+01 -0.221686D+01 -0.111286D+01
      4   0.364458D+01  0.551724D+00 -0.136349D+01  0.687889D+01 -0.263569D+01
      5  -0.163758D+01 -0.223206D+01  0.134099D+01  0.135253D+02 -0.128383D+01
      6  -0.915738D+00  0.274699D+00  0.299751D+01 -0.629937D+01  0.500267D+01
               126           127           128           129           130 
      1   0.202632D+01  0.495365D+01 -0.222150D+01 -0.164559D+00 -0.214689D+01
      2  -0.885544D+01  0.188034D+01 -0.702402D+01 -0.108914D+01 -0.734950D+01
      3   0.682912D+01 -0.683398D+01  0.924551D+01  0.125370D+01  0.949638D+01
      4  -0.607819D+01 -0.106230D+02  0.126440D+02 -0.461842D+00  0.128982D+02
      5  -0.131854D+02  0.483227D+01 -0.394538D+01  0.427956D+01 -0.437099D+01
      6   0.719288D+01 -0.426242D+01  0.597062D+01 -0.138500D+01  0.596239D+01
               131           132           133           134           135 
      1  -0.630192D+01  0.248043D+01 -0.101697D+01  0.657993D+00 -0.470123D+00
      2   0.235092D+02  0.118363D+01 -0.102589D+01  0.380914D+01  0.188597D+01
      3  -0.172073D+02 -0.366406D+01  0.204286D+01 -0.446713D+01 -0.141585D+01
      4  -0.179377D+02  0.426785D+00  0.196722D+01 -0.227388D+01 -0.195502D+01
      5   0.561272D+01 -0.211152D+01  0.263256D+01 -0.110787D+01 -0.976030D+00
      6  -0.132999D+02  0.615647D+01 -0.650398D+00  0.343902D+01  0.547605D+00
               136           137           138           139           140 
      1  -0.237948D+01 -0.344595D+01  0.866922D+01 -0.245601D+01 -0.392686D+01
      2  -0.411511D+01  0.406809D+00  0.512680D+01 -0.211364D+00  0.239784D+01
      3   0.649459D+01  0.303914D+01 -0.137960D+02  0.266738D+01  0.152902D+01
      4   0.652740D+01  0.435188D+01 -0.397296D+01  0.421326D+01  0.105330D+01
      5  -0.127857D+02 -0.282204D+01  0.109675D+02 -0.200762D+01 -0.225084D+01
      6  -0.516466D+01 -0.642081D+01  0.867802D+01 -0.393234D+01 -0.622836D+01
               141           142           143           144           145 
      1   0.476409D+01  0.672306D+01  0.506345D+01 -0.142765D+02  0.100561D+02
      2  -0.128542D+01  0.301559D+01 -0.450909D+00 -0.957843D+01 -0.123591D+02
      3  -0.347867D+01 -0.973865D+01 -0.461254D+01  0.238549D+02  0.230296D+01
      4  -0.231616D+01 -0.338878D+01 -0.203734D+01  0.407061D+01  0.191446D+01
      5   0.307982D+01  0.982723D+01  0.321371D+01 -0.895353D+01  0.164878D+02
      6   0.806234D+01  0.608406D+01  0.782138D+01 -0.113257D+02  0.315536D+01
               146           147           148           149           150 
      1   0.308984D+01  0.307804D+01  0.404422D+01  0.923979D+00 -0.134463D+01
      2  -0.562065D+01 -0.941658D+01 -0.674203D+01 -0.193170D+01 -0.621155D+01
      3   0.253081D+01  0.633854D+01  0.269781D+01  0.100772D+01  0.755618D+01
      4   0.497020D+01  0.525900D+00  0.476617D+01  0.410631D+01  0.215824D+01
      5   0.558770D+01  0.141551D+02  0.837344D+01  0.642051D+01  0.843159D+01
      6   0.542102D+01  0.309796D+01  0.531649D+01  0.790471D+01  0.556622D+01
               151           152           153 
      1   0.225651D+01 -0.360131D+00 -0.278113D+01
      2  -0.829103D+01 -0.411880D+01 -0.114264D+02
      3   0.603453D+01  0.447893D+01  0.142075D+02
      4   0.403595D+00  0.135960D+01  0.189077D+01
      5   0.122786D+02  0.563502D+01  0.121881D+02
      6   0.327781D+01  0.499752D+01  0.353341D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:56:59 2022, MaxMem=  5368709120 cpu:            3240.8 elap:             406.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44377 -10.42060 -10.42060 -10.42060 -10.42057
 Alpha  occ. eigenvalues --   -0.95625  -0.81077  -0.81077  -0.81076  -0.64879
 Alpha  occ. eigenvalues --   -0.56345  -0.56345  -0.56345  -0.51073  -0.51072
 Alpha  occ. eigenvalues --   -0.46913  -0.46913  -0.46913  -0.41971  -0.41970
 Alpha  occ. eigenvalues --   -0.41969
 Alpha virt. eigenvalues --    0.05387   0.08253   0.08253   0.08254   0.13485
 Alpha virt. eigenvalues --    0.13485   0.13485   0.16159   0.16393   0.16393
 Alpha virt. eigenvalues --    0.20325   0.20325   0.20325   0.20677   0.20677
 Alpha virt. eigenvalues --    0.20677   0.23777   0.23777   0.27098   0.27098
 Alpha virt. eigenvalues --    0.27098   0.30317   0.30317   0.30317   0.32058
 Alpha virt. eigenvalues --    0.34070   0.34070   0.34071   0.35169   0.37262
 Alpha virt. eigenvalues --    0.37262   0.37263   0.39233   0.39233   0.39233
 Alpha virt. eigenvalues --    0.39968   0.39969   0.41528   0.41529   0.41529
 Alpha virt. eigenvalues --    0.42187   0.43198   0.43198   0.43198   0.44600
 Alpha virt. eigenvalues --    0.44600   0.46386   0.46386   0.46386   0.51120
 Alpha virt. eigenvalues --    0.51121   0.51121   0.51431   0.51431   0.51663
 Alpha virt. eigenvalues --    0.53900   0.53901   0.53901   0.54479   0.54479
 Alpha virt. eigenvalues --    0.54480   0.57557   0.58966   0.58966   0.58967
 Alpha virt. eigenvalues --    0.61928   0.61929   0.61929   0.67087   0.67087
 Alpha virt. eigenvalues --    0.67088   0.68037   0.68037   0.69563   0.69737
 Alpha virt. eigenvalues --    0.69738   0.69738   0.77457   0.77458   0.82915
 Alpha virt. eigenvalues --    0.82916   0.82916   0.89112   0.95441   0.95441
 Alpha virt. eigenvalues --    0.95442   1.03462   1.03463   1.03463   1.04248
 Alpha virt. eigenvalues --    1.08254   1.08254   1.08256   1.10385   1.10385
 Alpha virt. eigenvalues --    1.10386   1.13133   1.13134   1.26503   1.26503
 Alpha virt. eigenvalues --    1.26505   1.29305   1.37959   1.37959   1.37960
 Alpha virt. eigenvalues --    1.40512   1.42326   1.42327   1.42330   1.45904
 Alpha virt. eigenvalues --    1.45907   1.45908   1.57040   1.57043   1.69430
 Alpha virt. eigenvalues --    1.69433   1.69434   1.76602   1.76603   1.80162
 Alpha virt. eigenvalues --    1.87693   1.87694   1.93188   1.93188   1.93189
 Alpha virt. eigenvalues --    1.93712   1.93717   1.93718   1.99513   1.99517
 Alpha virt. eigenvalues --    1.99520   2.09748   2.09748   2.09749   2.12523
 Alpha virt. eigenvalues --    2.12523   2.12525   2.18752   2.18756   2.21925
 Alpha virt. eigenvalues --    2.21928   2.21928   2.23754   2.30854   2.30854
 Alpha virt. eigenvalues --    2.30855   2.40904   2.40905   2.47004   2.47006
 Alpha virt. eigenvalues --    2.47007   2.49085   2.62978   2.62979   2.62980
 Alpha virt. eigenvalues --    2.66907   2.66907   2.66909   2.76605   2.76606
 Alpha virt. eigenvalues --    2.77783   2.77785   2.77786   2.92534   3.09872
 Alpha virt. eigenvalues --    3.09874   3.09876   3.21267   3.21268   3.21271
 Alpha virt. eigenvalues --    3.23149   3.23150   3.23151   3.34022   3.34024
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   11.217198   0.029500   0.029621   0.029737   0.029979   0.039549
     2  C    0.029500   4.515019  -0.062887  -0.062877  -0.062864   0.168341
     3  C    0.029621  -0.062887   4.514959  -0.062882  -0.062877  -0.008630
     4  C    0.029737  -0.062877  -0.062882   4.514988  -0.062913  -0.008624
     5  C    0.029979  -0.062864  -0.062877  -0.062913   4.514748   0.006202
     6  H    0.039549   0.168341  -0.008630  -0.008624   0.006202   0.932096
     7  H    0.040247   0.168073  -0.008701   0.006161  -0.008702  -0.100274
     8  H    0.039992   0.168167   0.006179  -0.008698  -0.008641  -0.100233
     9  H    0.039754  -0.008681   0.168231  -0.008605   0.006201  -0.005475
    10  H    0.039874   0.006180   0.168192  -0.008704  -0.008633   0.004523
    11  H    0.040103  -0.008644   0.168174   0.006172  -0.008727  -0.013010
    12  H    0.040368  -0.008708  -0.008697   0.168057   0.006168  -0.005510
    13  H    0.039755  -0.008632   0.006190   0.168243  -0.008689  -0.013020
    14  H    0.039611   0.006201  -0.008607   0.168251  -0.008674   0.004519
    15  H    0.039358  -0.008613  -0.008613   0.006216   0.168335   0.004528
    16  H    0.040228   0.006168  -0.008728  -0.008679   0.168198  -0.003027
    17  H    0.039984  -0.008668   0.006188  -0.008673   0.168189   0.004523
               7          8          9         10         11         12
     1  C    0.040247   0.039992   0.039754   0.039874   0.040103   0.040368
     2  C    0.168073   0.168167  -0.008681   0.006180  -0.008644  -0.008708
     3  C   -0.008701   0.006179   0.168231   0.168192   0.168174  -0.008697
     4  C    0.006161  -0.008698  -0.008605  -0.008704   0.006172   0.168057
     5  C   -0.008702  -0.008641   0.006201  -0.008633  -0.008727   0.006168
     6  H   -0.100274  -0.100233  -0.005475   0.004523  -0.013010  -0.005510
     7  H    0.931820  -0.100194  -0.013056   0.004511  -0.005531   0.004511
     8  H   -0.100194   0.931790   0.004519  -0.003026   0.004511  -0.013041
     9  H   -0.013056   0.004519   0.931979  -0.100221  -0.100261  -0.005529
    10  H    0.004511  -0.003026  -0.100221   0.931882  -0.100226  -0.013069
    11  H   -0.005531   0.004511  -0.100261  -0.100226   0.931901   0.004510
    12  H    0.004511  -0.013041  -0.005529  -0.013069   0.004510   0.931759
    13  H    0.004514  -0.005503   0.004518   0.004524  -0.003027  -0.100256
    14  H   -0.003026   0.004523  -0.012992  -0.005497   0.004520  -0.100219
    15  H   -0.005507  -0.013031   0.004527  -0.012985  -0.005495  -0.003028
    16  H    0.004516   0.004511   0.004516  -0.005528  -0.013087   0.004509
    17  H   -0.013042  -0.005527  -0.003027   0.004515   0.004519   0.004512
              13         14         15         16         17
     1  C    0.039755   0.039611   0.039358   0.040228   0.039984
     2  C   -0.008632   0.006201  -0.008613   0.006168  -0.008668
     3  C    0.006190  -0.008607  -0.008613  -0.008728   0.006188
     4  C    0.168243   0.168251   0.006216  -0.008679  -0.008673
     5  C   -0.008689  -0.008674   0.168335   0.168198   0.168189
     6  H   -0.013020   0.004519   0.004528  -0.003027   0.004523
     7  H    0.004514  -0.003026  -0.005507   0.004516  -0.013042
     8  H   -0.005503   0.004523  -0.013031   0.004511  -0.005527
     9  H    0.004518  -0.012992   0.004527   0.004516  -0.003027
    10  H    0.004524  -0.005497  -0.012985  -0.005528   0.004515
    11  H   -0.003027   0.004520  -0.005495  -0.013087   0.004519
    12  H   -0.100256  -0.100219  -0.003028   0.004509   0.004512
    13  H    0.932042  -0.100252   0.004529  -0.013029  -0.005501
    14  H   -0.100252   0.931963   0.004527  -0.005505  -0.013043
    15  H    0.004529   0.004527   0.932175  -0.100259  -0.100247
    16  H   -0.013029  -0.005505  -0.100259   0.931867  -0.100246
    17  H   -0.005501  -0.013043  -0.100247  -0.100246   0.931938
 Mulliken charges:
               1
     1  C   -5.814859
     2  C    1.172925
     3  C    1.172888
     4  C    1.172832
     5  C    1.172702
     6  H    0.093521
     7  H    0.093679
     8  H    0.093704
     9  H    0.093602
    10  H    0.093687
    11  H    0.093596
    12  H    0.093664
    13  H    0.093594
    14  H    0.093699
    15  H    0.093583
    16  H    0.093577
    17  H    0.093607
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -5.814859
     2  C    1.453830
     3  C    1.453772
     4  C    1.453789
     5  C    1.453468
 Electronic spatial extent (au):  <R**2>=            484.0242
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.4766   YY=            -35.4765   ZZ=            -35.4764
   XY=             -0.0000   XZ=              0.0001   YZ=             -0.0001
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0001
   XY=             -0.0000   XZ=              0.0001   YZ=             -0.0001
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3641  YYY=             -1.0157  ZZZ=             -0.8215  XYY=              1.6355
  XXY=              0.0175  XXZ=              1.3094  XZZ=             -1.2717  YZZ=              0.9981
  YYZ=             -0.4882  XYZ=              1.7529
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -230.7676 YYYY=           -229.8636 ZZZZ=           -230.1364 XXXY=              0.9829
 XXXZ=             -0.8963 YYYX=             -1.0559 YYYZ=              1.2200 ZZZX=              0.4793
 ZZZY=             -1.5016 XXYY=            -75.7337 XXZZ=            -75.4540 YYZZ=            -76.3418
 XXYZ=              0.2806 YYXZ=              0.4175 ZZXY=              0.0728
 N-N= 1.985943013625D+02 E-N=-8.519812455734D+02  KE= 1.947841992390D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:56:59 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290719D-06-2.40208704D-06-2.94381933D-06
 Polarizability= 6.33545600D+01 1.19950017D-04 6.33541331D+01
                 3.32805357D-04-2.65587196D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0161    0.0127       -0.0068   -0.0021
 2     -0.0161   -0.0127        0.0152    0.0135        0.0016   -0.0003
 3      0.0068    0.0021       -0.0044   -0.0016       -0.0176   -0.0135
 4     -0.0152   -0.0135       -0.0000    0.0000        0.0074    0.0021
 5      0.0028    0.0020       -0.0074   -0.0021        0.0163    0.0127
 6      0.0176    0.0135       -0.0163   -0.0127       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0381   -0.0381       -0.0063   -0.0063
 2     -0.0404   -0.0404       -0.0000    0.0000       -0.0063   -0.0063
 3     -0.0404   -0.0404       -0.0381   -0.0381       -0.0000    0.0000
 4     -0.0381   -0.0381        0.0404    0.0404       -0.0010   -0.0010
 5      0.0063    0.0063       -0.0048   -0.0048       -0.0403   -0.0404
 6      0.0059    0.0059       -0.0063   -0.0063        0.0381    0.0381
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0703    0.0000        0.1894   -0.0508        0.0222    0.0084
 2      0.0171    0.0508        0.2062   -0.0538       -0.1368    0.0014
 3      0.0957   -0.0084       -0.1122    0.0065       -0.0539    0.0538
 4     -0.1224    0.0538       -0.0579    0.0000        0.1120   -0.0084
 5     -0.0956   -0.0078       -0.3133    0.0084        0.0441   -0.0508
 6     -0.1658   -0.0538        0.2885    0.0508        0.0865    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2008    0.0000        0.1738    0.0031        0.1147    0.0239
 2     -0.2672   -0.0031       -0.2423   -0.0661        0.4114    0.0587
 3     -0.5021   -0.0239        0.3795   -0.0012       -0.2038    0.0661
 4      0.1014    0.0661       -0.0942    0.0000        0.1087   -0.0239
 5     -0.3000   -0.0575       -0.5056    0.0239       -0.5438    0.0031
 6      0.0684   -0.0661       -0.1051   -0.0031       -0.2867    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.8312    5.2547        2.0597    1.7681        2.9520    3.2521
 2      4.7257    5.2900        2.2839    1.7762        3.1095    3.2521
 3      5.0180    5.2900        1.9207    1.7681        2.9733    3.2107
 4      0.0488   -0.0081       -0.4101   -0.0353        0.3485    0.0968
 5     -0.7491   -0.0414        0.2427   -0.0434       -0.1024    0.0353
 6     -0.4570   -0.0534       -0.3963    0.0414       -0.3962    0.0081
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0331   -4.9812   -2.2783   -0.0007    0.0006    0.0007
 Low frequencies ---  161.4148  205.6835  232.7491
 Diagonal vibrational polarizability:
        0.7232490       0.7231525       0.7231564
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.4137               205.6834               232.7490
 Red. masses --      1.6948                 1.8335                 1.4638
 Frc consts  --      0.0260                 0.0457                 0.0467
 IR Inten    --      0.0000                 0.0001                 0.0003
 RamAct Fr= 1--      0.0010                 0.0048                 0.0164
  Dep-P Fr= 1--      0.7018                 0.7500                 0.7481
  Dep-U Fr= 1--      0.8247                 0.8571                 0.8559
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0007                 0.0023
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0001                -0.0021                 0.0011
 Delta2 Fr= 1--      0.0003                 0.0004                -0.0016
 Raman1 Fr= 1--       0.004                  0.019                  0.066
 ROA1   Fr= 1--      -0.004                 -0.188                  0.056
 CID1   Fr= 1--      -1.023                 -9.791                  0.850
 Raman2 Fr= 1--       0.002                  0.008                  0.028
 ROA2   Fr= 1--      -0.005                 -0.053                  0.039
 CID2   Fr= 1--      -3.281                 -6.417                  1.384
 Raman3 Fr= 1--       0.003                  0.016                  0.056
 ROA3   Fr= 1--      -0.004                 -0.188                  0.056
 CID3   Fr= 1--      -1.240                -11.423                  0.993
 RC180  Fr= 1--       0.649                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.00  -0.01  -0.01
     2   6    -0.01   0.01  -0.01    -0.01   0.05   0.00    -0.01  -0.01  -0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.04   0.02   0.00
     4   6     0.00  -0.01   0.02    -0.03  -0.01   0.02     0.02  -0.00   0.02
     5   6     0.01  -0.01  -0.01     0.02  -0.01  -0.02     0.02  -0.02  -0.03
     6   1     0.01   0.23   0.11    -0.05  -0.07  -0.05    -0.05  -0.45  -0.23
     7   1    -0.16  -0.02  -0.21     0.10   0.08   0.10     0.31   0.04   0.39
     8   1     0.12  -0.19   0.07    -0.10   0.17  -0.04    -0.26   0.38  -0.18
     9   1     0.29  -0.14  -0.20     0.27  -0.16  -0.19     0.02   0.01  -0.03
    10   1    -0.20   0.30  -0.14    -0.16   0.25  -0.12    -0.08   0.12  -0.01
    11   1    -0.10  -0.15   0.33    -0.05  -0.14   0.32    -0.11  -0.03   0.06
    12   1    -0.17  -0.10   0.05     0.01   0.02   0.02     0.08   0.06   0.02
    13   1     0.05   0.06  -0.15    -0.06  -0.03   0.08     0.01  -0.06   0.10
    14   1     0.13   0.00   0.18    -0.06  -0.05  -0.03    -0.03  -0.01  -0.05
    15   1     0.26   0.14  -0.05    -0.35  -0.21  -0.01     0.22   0.10  -0.09
    16   1    -0.01  -0.28  -0.13     0.08   0.35   0.18     0.02  -0.25  -0.11
    17   1    -0.21   0.10   0.15     0.35  -0.18  -0.24    -0.14   0.06   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.6576               299.0248               307.3252
 Red. masses --      1.0630                 2.6053                 2.3470
 Frc consts  --      0.0435                 0.1373                 0.1306
 IR Inten    --      0.0001                 0.0008                 0.0003
 RamAct Fr= 1--      0.0055                 0.8881                 1.0016
  Dep-P Fr= 1--      0.5121                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6773                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0006                 0.1269                 0.1431
 AlphaG Fr= 1--     -0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0072                -0.0026                 0.0074
 Delta2 Fr= 1--     -0.0044                -0.0029                 0.0066
 Raman1 Fr= 1--       0.022                  3.553                  4.006
 ROA1   Fr= 1--       0.546                 -0.344                  0.920
 CID1   Fr= 1--      24.723                 -0.097                  0.230
 Raman2 Fr= 1--       0.007                  1.523                  1.717
 ROA2   Fr= 1--       0.208                 -0.040                  0.124
 CID2   Fr= 1--      27.755                 -0.026                  0.072
 Raman3 Fr= 1--       0.015                  3.045                  3.434
 ROA3   Fr= 1--       0.546                 -0.344                  0.920
 CID3   Fr= 1--      36.503                 -0.113                  0.268
 RC180  Fr= 1--       0.355                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.01  -0.00  -0.02     0.01   0.15   0.01     0.12   0.00   0.13
     3   6     0.00  -0.01   0.01     0.01  -0.08   0.13    -0.10   0.06   0.05
     4   6     0.00  -0.00   0.00     0.08   0.09  -0.11    -0.12  -0.05  -0.12
     5   6     0.01   0.01   0.00    -0.09  -0.13  -0.06     0.11  -0.02  -0.06
     6   1    -0.02   0.09   0.04    -0.02   0.21   0.06     0.31   0.18   0.15
     7   1    -0.09  -0.02  -0.12     0.12   0.24  -0.07     0.06  -0.02   0.08
     8   1     0.05  -0.09  -0.00    -0.07   0.17   0.10     0.13  -0.16   0.34
     9   1     0.02  -0.04  -0.01    -0.15  -0.27   0.11    -0.16   0.12   0.11
    10   1    -0.02   0.03   0.01     0.12  -0.05   0.28    -0.06   0.18   0.15
    11   1    -0.01  -0.03   0.06     0.05  -0.09   0.24    -0.27  -0.01  -0.00
    12   1     0.48   0.29  -0.05     0.16   0.05  -0.17    -0.10  -0.17  -0.20
    13   1    -0.13  -0.23   0.50     0.13   0.07  -0.15    -0.26   0.08  -0.10
    14   1    -0.34  -0.06  -0.43     0.03   0.23  -0.12    -0.18  -0.10  -0.20
    15   1     0.07   0.04   0.00    -0.11  -0.11  -0.19     0.13   0.02  -0.18
    16   1     0.02  -0.04  -0.01    -0.18  -0.24  -0.20     0.22  -0.09   0.03
    17   1    -0.03   0.05   0.02    -0.12  -0.27   0.15     0.16  -0.02  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    364.9352               387.7294               392.1374
 Red. masses --      2.6323                 2.3104                 2.3140
 Frc consts  --      0.2065                 0.2046                 0.2096
 IR Inten    --      0.0408                 0.0599                 0.0373
 RamAct Fr= 1--      0.1532                 0.2201                 0.2777
  Dep-P Fr= 1--      0.6709                 0.7480                 0.7275
  Dep-U Fr= 1--      0.8030                 0.8559                 0.8422
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0205                 0.0314                 0.0390
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0054                -0.0055                -0.0058
 Delta2 Fr= 1--     -0.0016                 0.0014                -0.0030
 Raman1 Fr= 1--       0.613                  0.880                  1.111
 ROA1   Fr= 1--       0.470                 -0.479                 -0.655
 CID1   Fr= 1--       0.767                 -0.544                 -0.590
 Raman2 Fr= 1--       0.246                  0.377                  0.468
 ROA2   Fr= 1--       0.143                 -0.142                 -0.116
 CID2   Fr= 1--       0.580                 -0.377                 -0.249
 Raman3 Fr= 1--       0.492                  0.753                  0.936
 ROA3   Fr= 1--       0.470                 -0.479                 -0.655
 CID3   Fr= 1--       0.955                 -0.636                 -0.700
 RC180  Fr= 1--       0.606                  0.712                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12  -0.04     0.09   0.04   0.10     0.07   0.09  -0.10
     2   6     0.03   0.11  -0.07    -0.05  -0.03  -0.10     0.14  -0.04  -0.09
     3   6    -0.07   0.02  -0.01     0.09   0.12   0.05     0.03   0.03   0.06
     4   6     0.07  -0.15  -0.04    -0.10  -0.01  -0.09    -0.09  -0.06   0.11
     5   6    -0.03   0.03   0.10     0.02  -0.10   0.08    -0.10   0.05  -0.07
     6   1    -0.13   0.18   0.03    -0.28  -0.18  -0.09     0.24  -0.07  -0.16
     7   1     0.22   0.29  -0.25    -0.11  -0.06  -0.10     0.04  -0.14   0.01
     8   1    -0.09   0.21  -0.02     0.04   0.07  -0.37     0.21  -0.10  -0.12
     9   1    -0.09   0.16   0.08     0.17   0.24   0.08    -0.13  -0.12   0.06
    10   1    -0.06   0.20   0.08     0.05   0.13  -0.00     0.15   0.13   0.24
    11   1    -0.34  -0.09  -0.11     0.05   0.11  -0.02    -0.00  -0.02   0.15
    12   1     0.05  -0.16  -0.03    -0.07  -0.22  -0.22    -0.27   0.05   0.26
    13   1     0.05  -0.13  -0.03    -0.31   0.19  -0.09    -0.21  -0.03   0.24
    14   1     0.08  -0.19  -0.04    -0.17  -0.07  -0.19     0.01  -0.40   0.12
    15   1    -0.04  -0.06   0.43    -0.04  -0.10  -0.03    -0.16  -0.01  -0.01
    16   1    -0.15   0.23   0.04    -0.06  -0.17  -0.03    -0.23   0.11  -0.21
    17   1    -0.10   0.12   0.08     0.02  -0.25   0.27    -0.13  -0.03   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    686.9048               750.3383               762.8615
 Red. masses --      3.3631                 2.5284                 2.4648
 Frc consts  --      0.9349                 0.8387                 0.8451
 IR Inten    --      0.0200                 0.2201                 0.2419
 RamAct Fr= 1--     16.6433                 1.5304                 1.5909
  Dep-P Fr= 1--      0.0032                 0.6668                 0.7407
  Dep-U Fr= 1--      0.0064                 0.8001                 0.8511
 Alpha2 Fr= 1--      0.3671                 0.0023                 0.0003
 Beta2  Fr= 1--      0.0177                 0.2041                 0.2257
 AlphaG Fr= 1--     -0.0001                -0.0001                -0.0000
 Gamma2 Fr= 1--     -0.0016                -0.0637                 0.2867
 Delta2 Fr= 1--     -0.0022                -0.0800                 0.2962
 Raman1 Fr= 1--      66.573                  6.121                  6.364
 ROA1   Fr= 1--      -0.223                 -8.678                 36.996
 CID1   Fr= 1--      -0.003                 -1.418                  5.814
 Raman2 Fr= 1--       0.213                  2.449                  2.708
 ROA2   Fr= 1--      -0.021                 -0.890                  4.510
 CID2   Fr= 1--      -0.098                 -0.363                  1.666
 Raman3 Fr= 1--       0.425                  4.898                  5.416
 ROA3   Fr= 1--      -0.223                 -8.678                 36.996
 CID3   Fr= 1--      -0.525                 -1.772                  6.831
 RC180  Fr= 1--      -0.987                  0.600                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.00     0.01   0.01  -0.04    -0.04  -0.03   0.02
     2   6     0.15   0.02  -0.12    -0.06   0.05   0.03     0.07  -0.07  -0.05
     3   6    -0.14  -0.11  -0.08     0.02   0.09  -0.12    -0.08   0.12   0.09
     4   6    -0.10   0.19   0.06    -0.01   0.02   0.00    -0.01   0.00   0.01
     5   6     0.11  -0.05   0.15     0.05  -0.14   0.02    -0.04  -0.08  -0.02
     6   1     0.19   0.03  -0.13    -0.02  -0.05  -0.03     0.02   0.05   0.03
     7   1     0.19   0.04  -0.14    -0.25  -0.11   0.19     0.37   0.16  -0.28
     8   1     0.16   0.01  -0.12     0.04  -0.00  -0.05    -0.08   0.01   0.05
     9   1    -0.18  -0.22  -0.13    -0.32  -0.31  -0.18     0.05  -0.04  -0.05
    10   1    -0.20  -0.22  -0.19     0.27   0.20   0.23    -0.13  -0.22  -0.11
    11   1    -0.16  -0.12  -0.11     0.08   0.05   0.15     0.43   0.34   0.26
    12   1    -0.13   0.20   0.07     0.02  -0.06  -0.06    -0.03  -0.11  -0.05
    13   1    -0.15   0.22   0.08    -0.04   0.09  -0.05    -0.13   0.12   0.01
    14   1    -0.10   0.14   0.05    -0.05   0.08  -0.03    -0.04  -0.06  -0.05
    15   1     0.07  -0.08   0.17     0.20  -0.19   0.49     0.11  -0.04   0.14
    16   1     0.08  -0.09   0.11     0.05   0.05   0.09     0.06  -0.02   0.12
    17   1     0.14  -0.21   0.32    -0.06   0.11  -0.15    -0.09   0.18  -0.30
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.2512               826.6650               879.2248
 Red. masses --      2.7432                 2.1916                 2.1257
 Frc consts  --      1.0376                 0.8824                 0.9682
 IR Inten    --      0.3331                 0.0759                 0.3468
 RamAct Fr= 1--      4.1732                 1.0540                 3.9683
  Dep-P Fr= 1--      0.6024                 0.7457                 0.6566
  Dep-U Fr= 1--      0.7519                 0.8543                 0.7927
 Alpha2 Fr= 1--      0.0114                 0.0001                 0.0066
 Beta2  Fr= 1--      0.5229                 0.1501                 0.5243
 AlphaG Fr= 1--      0.0001                 0.0001                -0.0001
 Gamma2 Fr= 1--     -0.4072                 0.1331                -0.0185
 Delta2 Fr= 1--     -0.4929                 0.2899                 0.0024
 Raman1 Fr= 1--      16.693                  4.216                 15.873
 ROA1   Fr= 1--     -54.862                 22.054                 -1.699
 CID1   Fr= 1--      -3.287                  5.231                 -0.107
 Raman2 Fr= 1--       6.275                  1.801                  6.291
 ROA2   Fr= 1--      -5.829                  0.875                 -0.464
 CID2   Fr= 1--      -0.929                  0.486                 -0.074
 Raman3 Fr= 1--      12.551                  3.602                 12.583
 ROA3   Fr= 1--     -54.862                 22.054                 -1.699
 CID3   Fr= 1--      -4.371                  6.123                 -0.135
 RC180  Fr= 1--       0.504                  0.709                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.02     0.00  -0.01  -0.04     0.04   0.03   0.11
     2   6     0.04  -0.06   0.00    -0.02   0.07  -0.05     0.13   0.14  -0.03
     3   6     0.14  -0.08   0.00    -0.01  -0.05   0.12    -0.04  -0.04   0.02
     4   6    -0.11   0.17   0.06    -0.03   0.04   0.01     0.04  -0.06   0.04
     5   6    -0.07  -0.08  -0.04     0.07  -0.05  -0.13    -0.09  -0.04   0.00
     6   1    -0.15  -0.06   0.07     0.31   0.11  -0.15    -0.07  -0.14  -0.10
     7   1     0.18   0.08  -0.22    -0.15  -0.10   0.26    -0.28  -0.14   0.11
     8   1    -0.00   0.04  -0.09    -0.00  -0.11   0.17     0.39   0.13  -0.42
     9   1     0.15   0.22   0.16     0.28   0.25   0.16    -0.03  -0.05   0.01
    10   1     0.18   0.23   0.16    -0.19  -0.14  -0.14    -0.13  -0.15  -0.13
    11   1    -0.26  -0.24  -0.16     0.01   0.01  -0.05    -0.10  -0.06  -0.03
    12   1    -0.06   0.20   0.05     0.04   0.00  -0.03     0.16  -0.30  -0.16
    13   1    -0.02   0.11   0.02     0.00   0.04  -0.03    -0.04   0.11  -0.08
    14   1    -0.12   0.31   0.10    -0.06   0.13  -0.00    -0.08   0.11  -0.06
    15   1     0.08  -0.02   0.05     0.03  -0.23   0.42     0.01   0.06  -0.13
    16   1     0.05  -0.03   0.12    -0.16   0.19  -0.30     0.04  -0.04   0.14
    17   1    -0.10   0.21  -0.39    -0.14   0.04   0.04    -0.07   0.19  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    910.1027               988.9378              1030.0289
 Red. masses --      1.9994                 1.6192                 1.5418
 Frc consts  --      0.9757                 0.9330                 0.9638
 IR Inten    --      0.5056                 0.0319                 0.0500
 RamAct Fr= 1--      5.5957                 2.5244                 0.8351
  Dep-P Fr= 1--      0.6429                 0.7496                 0.7341
  Dep-U Fr= 1--      0.7826                 0.8569                 0.8467
 Alpha2 Fr= 1--      0.0108                 0.0000                 0.0002
 Beta2  Fr= 1--      0.7299                 0.3605                 0.1178
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.1342                 0.0053                -0.0380
 Delta2 Fr= 1--      0.0867                -0.1591                -0.0444
 Raman1 Fr= 1--      22.383                 10.098                  3.340
 ROA1   Fr= 1--      15.656                 -4.584                 -5.072
 CID1   Fr= 1--       0.699                 -0.454                 -1.518
 Raman2 Fr= 1--       8.759                  4.326                  1.414
 ROA2   Fr= 1--       2.526                  1.400                 -0.557
 CID2   Fr= 1--       0.288                  0.324                 -0.394
 Raman3 Fr= 1--      17.517                  8.652                  2.828
 ROA3   Fr= 1--      15.656                 -4.584                 -5.072
 CID3   Fr= 1--       0.894                 -0.530                 -1.793
 RC180  Fr= 1--       0.565                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14  -0.02  -0.06    -0.05  -0.05   0.07    -0.01  -0.00  -0.01
     2   6     0.04   0.07  -0.12     0.03  -0.02  -0.03     0.09   0.01   0.12
     3   6     0.03   0.02   0.03     0.00   0.03  -0.05    -0.03   0.01   0.01
     4   6    -0.05  -0.07  -0.05    -0.07  -0.06   0.10    -0.08  -0.02  -0.07
     5   6    -0.04  -0.05   0.14     0.05   0.07  -0.06     0.04   0.01  -0.06
     6   1     0.36   0.10  -0.23     0.08   0.00  -0.04    -0.36  -0.26   0.14
     7   1    -0.04  -0.06   0.12     0.11   0.03  -0.07    -0.11  -0.02  -0.17
     8   1     0.07  -0.08   0.06     0.04  -0.04  -0.02     0.18   0.22  -0.35
     9   1     0.09   0.15   0.07    -0.08  -0.04  -0.05    -0.02   0.05   0.03
    10   1     0.06   0.11   0.09     0.08   0.08   0.07    -0.06  -0.03  -0.04
    11   1     0.11   0.06   0.05     0.05   0.03   0.05     0.09   0.05   0.08
    12   1     0.03   0.25   0.09     0.35  -0.29  -0.22    -0.06   0.37   0.15
    13   1     0.33  -0.41  -0.09     0.17  -0.05  -0.24     0.27  -0.38  -0.03
    14   1     0.03   0.20   0.14    -0.27   0.61   0.05     0.09   0.09   0.16
    15   1     0.08   0.07  -0.07    -0.14  -0.04  -0.03     0.02  -0.06   0.14
    16   1     0.16  -0.19   0.31    -0.06   0.10  -0.18    -0.01   0.04  -0.10
    17   1     0.10  -0.05  -0.04    -0.05  -0.00   0.18    -0.00  -0.06   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1076.4670              1078.0087              1084.8245
 Red. masses --      2.1954                 2.2006                 2.3010
 Frc consts  --      1.4989                 1.5067                 1.5955
 IR Inten    --      2.8219                 3.5518                 4.6338
 RamAct Fr= 1--      1.7061                 2.1588                 1.3262
  Dep-P Fr= 1--      0.7384                 0.7418                 0.7412
  Dep-U Fr= 1--      0.8495                 0.8517                 0.8513
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0002
 Beta2  Fr= 1--      0.2415                 0.3065                 0.1882
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0576                -0.0361                -0.1855
 Delta2 Fr= 1--     -0.0138                 0.0303                -0.0297
 Raman1 Fr= 1--       6.824                  8.635                  5.305
 ROA1   Fr= 1--       5.088                 -2.496                -18.761
 CID1   Fr= 1--       0.746                 -0.289                 -3.536
 Raman2 Fr= 1--       2.899                  3.677                  2.258
 ROA2   Fr= 1--       1.494                 -1.108                 -4.214
 CID2   Fr= 1--       0.515                 -0.301                 -1.866
 Raman3 Fr= 1--       5.797                  7.355                  4.516
 ROA3   Fr= 1--       5.088                 -2.496                -18.761
 CID3   Fr= 1--       0.878                 -0.339                 -4.154
 RC180  Fr= 1--       0.699                  0.703                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00     0.01  -0.02  -0.01     0.00   0.00   0.02
     2   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.02  -0.00  -0.02
     3   6     0.02   0.01  -0.11    -0.10   0.09  -0.01     0.08   0.08  -0.02
     4   6     0.02   0.00   0.02    -0.01   0.00  -0.01    -0.02   0.00  -0.05
     5   6    -0.07   0.03  -0.03     0.01   0.00   0.00     0.12  -0.05   0.06
     6   1     0.01  -0.00  -0.01    -0.01  -0.01   0.00     0.06   0.05  -0.02
     7   1     0.00   0.00  -0.01    -0.03  -0.01   0.00     0.02   0.00   0.03
     8   1    -0.03   0.00   0.02     0.01   0.03  -0.03    -0.03  -0.05   0.06
     9   1    -0.17   0.43   0.19     0.53  -0.00  -0.33    -0.22   0.05   0.10
    10   1     0.11  -0.28  -0.10     0.37  -0.47   0.37     0.02  -0.25  -0.22
    11   1    -0.07  -0.25   0.59    -0.30  -0.03   0.03    -0.20  -0.16   0.28
    12   1     0.03  -0.10  -0.04    -0.02   0.04   0.02    -0.07   0.19   0.09
    13   1    -0.05   0.09  -0.01     0.02  -0.03  -0.00     0.07  -0.12   0.02
    14   1    -0.03  -0.01  -0.04    -0.00   0.01   0.01     0.07  -0.07   0.05
    15   1     0.22   0.14   0.14    -0.03  -0.01  -0.03    -0.38  -0.25  -0.25
    16   1    -0.03   0.01   0.00     0.01   0.01   0.02     0.04  -0.00  -0.01
    17   1     0.18  -0.25  -0.01    -0.02   0.01   0.03    -0.31   0.43   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1098.2764              1188.9127              1231.9363
 Red. masses --      2.5942                 3.4875                 2.6315
 Frc consts  --      1.8436                 2.9045                 2.3531
 IR Inten    --      1.1878                 0.6718                 7.9139
 RamAct Fr= 1--      1.3439                 7.8974                 7.3333
  Dep-P Fr= 1--      0.1145                 0.7437                 0.7466
  Dep-U Fr= 1--      0.2055                 0.8530                 0.8549
 Alpha2 Fr= 1--      0.0227                 0.0009                 0.0004
 Beta2  Fr= 1--      0.0460                 1.1227                 1.0449
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0243                 0.2889                 0.1969
 Delta2 Fr= 1--      0.0628                 0.3025                 0.0436
 Raman1 Fr= 1--       5.376                 31.590                 29.333
 ROA1   Fr= 1--       4.338                 37.412                 20.302
 CID1   Fr= 1--       0.807                  1.184                  0.692
 Raman2 Fr= 1--       0.552                 13.473                 12.539
 ROA2   Fr= 1--       0.080                  4.513                  4.377
 CID2   Fr= 1--       0.146                  0.335                  0.349
 Raman3 Fr= 1--       1.105                 26.946                 25.077
 ROA3   Fr= 1--       4.338                 37.412                 20.302
 CID3   Fr= 1--       3.926                  1.388                  0.810
 RC180  Fr= 1--      -0.589                  0.706                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01     0.28  -0.28  -0.09     0.14   0.15   0.19
     2   6     0.03   0.04   0.01    -0.02   0.04  -0.03    -0.10  -0.04  -0.06
     3   6    -0.15  -0.16  -0.12    -0.05   0.05   0.01    -0.09  -0.07  -0.07
     4   6     0.05   0.04   0.01    -0.11   0.08   0.03    -0.06  -0.05  -0.08
     5   6     0.07  -0.00   0.03    -0.04   0.02   0.09    -0.02  -0.04  -0.02
     6   1    -0.02  -0.05  -0.02    -0.18   0.10   0.09     0.01   0.32   0.11
     7   1    -0.08  -0.03   0.01    -0.16  -0.12   0.23     0.29   0.10   0.21
     8   1     0.08   0.05  -0.10    -0.12  -0.02   0.20     0.25  -0.36  -0.07
     9   1     0.13   0.41   0.05    -0.09  -0.05  -0.02     0.00   0.06  -0.05
    10   1     0.07   0.26   0.31    -0.09  -0.05  -0.07     0.01   0.04   0.11
    11   1     0.44   0.06   0.18     0.17   0.14   0.11     0.08  -0.02   0.02
    12   1    -0.09  -0.05   0.01    -0.01   0.26   0.08     0.03   0.26   0.07
    13   1    -0.20   0.23   0.09     0.01   0.01  -0.03     0.20  -0.33  -0.02
    14   1     0.02  -0.16  -0.08    -0.09   0.34   0.12     0.12   0.05   0.17
    15   1    -0.23  -0.12  -0.16     0.03   0.16  -0.27     0.10   0.02   0.02
    16   1     0.06  -0.02   0.03    -0.32   0.10  -0.25    -0.19   0.14  -0.17
    17   1    -0.15   0.20   0.08     0.13   0.01  -0.13     0.01   0.04  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1249.7542              1302.2485              1324.0443
 Red. masses --      3.6191                 1.3138                 1.2855
 Frc consts  --      3.3305                 1.3127                 1.3278
 IR Inten    --      6.6211                 3.4013                 6.9946
 RamAct Fr= 1--      7.3414                 1.4996                 3.7799
  Dep-P Fr= 1--      0.7461                 0.7464                 0.7485
  Dep-U Fr= 1--      0.8546                 0.8548                 0.8561
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0001
 Beta2  Fr= 1--      1.0456                 0.2136                 0.5394
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.5002                 0.4905                -0.4264
 Delta2 Fr= 1--     -0.2909                 0.2399                -0.2300
 Raman1 Fr= 1--      29.365                  5.998                 15.120
 ROA1   Fr= 1--     -57.330                 54.763                -48.299
 CID1   Fr= 1--      -1.952                  9.130                 -3.194
 Raman2 Fr= 1--      12.547                  2.564                  6.472
 ROA2   Fr= 1--      -9.679                  9.853                 -8.394
 CID2   Fr= 1--      -0.771                  3.843                 -1.297
 Raman3 Fr= 1--      25.095                  5.127                 12.944
 ROA3   Fr= 1--     -57.330                 54.763                -48.299
 CID3   Fr= 1--      -2.285                 10.681                 -3.731
 RC180  Fr= 1--       0.709                  0.710                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.26  -0.25    -0.05  -0.06   0.06     0.01   0.02   0.05
     2   6    -0.05  -0.07   0.12    -0.04   0.03   0.06     0.05  -0.01  -0.03
     3   6    -0.04  -0.06   0.02     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     4   6    -0.04  -0.09   0.09     0.02   0.02  -0.03    -0.00  -0.01  -0.02
     5   6     0.02  -0.10   0.15     0.02  -0.02   0.04    -0.01  -0.07  -0.04
     6   1     0.10  -0.21  -0.04     0.50  -0.31  -0.36    -0.02  -0.00  -0.00
     7   1    -0.03   0.06  -0.24    -0.03   0.11  -0.20    -0.10  -0.09  -0.05
     8   1    -0.20   0.15   0.01     0.12  -0.02  -0.12    -0.31   0.17   0.23
     9   1     0.10   0.14   0.05    -0.02  -0.03  -0.01    -0.01  -0.00  -0.01
    10   1    -0.07  -0.07  -0.02     0.02   0.02   0.01     0.00   0.02   0.01
    11   1     0.01  -0.03   0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.01
    12   1     0.33  -0.16  -0.14    -0.08   0.02   0.02    -0.02   0.05   0.03
    13   1     0.14   0.02  -0.29    -0.03  -0.01   0.09    -0.01  -0.03   0.02
    14   1    -0.19   0.32  -0.00     0.05  -0.09  -0.00     0.02   0.02   0.02
    15   1     0.07   0.00  -0.16     0.10   0.06  -0.09     0.18   0.08  -0.16
    16   1    -0.23   0.14  -0.07    -0.39   0.28  -0.36     0.06   0.74   0.33
    17   1     0.02   0.14  -0.14     0.08   0.00  -0.08    -0.17  -0.05   0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1329.0991              1349.2344              1412.0946
 Red. masses --      1.3986                 1.4883                 1.2310
 Frc consts  --      1.4557                 1.5963                 1.4462
 IR Inten    --      2.4074                 1.9205                 3.9660
 RamAct Fr= 1--      1.7841                 4.6387                 0.0373
  Dep-P Fr= 1--      0.7344                 0.7459                 0.2110
  Dep-U Fr= 1--      0.8468                 0.8545                 0.3484
 Alpha2 Fr= 1--      0.0005                 0.0003                 0.0005
 Beta2  Fr= 1--      0.2518                 0.6606                 0.0022
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0001
 Gamma2 Fr= 1--     -0.4076                 0.4545                 0.0057
 Delta2 Fr= 1--     -0.4171                 0.4191                 0.0033
 Raman1 Fr= 1--       7.137                 18.555                  0.149
 ROA1   Fr= 1--     -52.476                 57.041                  0.647
 CID1   Fr= 1--      -7.353                  3.074                  4.335
 Raman2 Fr= 1--       3.022                  7.927                  0.026
 ROA2   Fr= 1--      -6.446                  7.554                  0.110
 CID2   Fr= 1--      -2.133                  0.953                  4.215
 Raman3 Fr= 1--       6.043                 15.854                  0.052
 ROA3   Fr= 1--     -52.476                 57.041                  0.647
 CID3   Fr= 1--      -8.683                  3.598                 12.442
 RC180  Fr= 1--       0.694                  0.709                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.09     0.14  -0.00   0.05    -0.00   0.01   0.00
     2   6    -0.09   0.02   0.05    -0.05   0.01   0.03    -0.01   0.00   0.01
     3   6     0.01   0.02   0.02    -0.03  -0.01  -0.01     0.00   0.00   0.00
     4   6    -0.00   0.02   0.03    -0.04   0.00  -0.01     0.07  -0.12  -0.04
     5   6    -0.02  -0.02  -0.03    -0.05   0.04  -0.06    -0.00   0.00  -0.01
     6   1     0.03  -0.06  -0.04     0.45  -0.29  -0.33     0.03  -0.04  -0.03
     7   1     0.17   0.16   0.09    -0.11   0.05  -0.20     0.01   0.02  -0.02
     8   1     0.55  -0.37  -0.34    -0.18   0.06   0.16     0.03  -0.04  -0.01
     9   1     0.00  -0.00   0.02    -0.02  -0.01  -0.02     0.00  -0.01   0.00
    10   1    -0.02  -0.03  -0.04    -0.02  -0.00  -0.00     0.00  -0.01  -0.01
    11   1    -0.00   0.02   0.01     0.03   0.01   0.01    -0.01  -0.00  -0.01
    12   1     0.01  -0.04  -0.02     0.10   0.07  -0.03    -0.19   0.40   0.36
    13   1     0.02   0.05  -0.06     0.05  -0.07  -0.01    -0.44   0.36   0.04
    14   1    -0.06  -0.02  -0.05     0.07   0.00   0.12    -0.09   0.56   0.00
    15   1     0.05   0.03  -0.08    -0.11  -0.03   0.10    -0.01  -0.00   0.02
    16   1     0.24   0.30   0.38     0.40  -0.33   0.33     0.04  -0.03   0.02
    17   1    -0.12  -0.05   0.16    -0.08  -0.01   0.04    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1475.9110              1498.6958              1498.9268
 Red. masses --      1.0825                 1.0532                 1.0541
 Frc consts  --      1.3894                 1.3938                 1.3954
 IR Inten    --      4.4440                 5.6099                 5.7306
 RamAct Fr= 1--      2.3842                 5.3496                 5.2093
  Dep-P Fr= 1--      0.7351                 0.7500                 0.7498
  Dep-U Fr= 1--      0.8473                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3367                 0.7642                 0.7441
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0481                -0.0095                -0.0642
 Delta2 Fr= 1--      0.0096                -0.0077                 0.0117
 Raman1 Fr= 1--       9.537                 21.399                 20.837
 ROA1   Fr= 1--       4.925                 -1.157                 -5.791
 CID1   Fr= 1--       0.516                 -0.054                 -0.278
 Raman2 Fr= 1--       4.040                  9.171                  8.929
 ROA2   Fr= 1--       1.077                 -0.165                 -1.635
 CID2   Fr= 1--       0.267                 -0.018                 -0.183
 Raman3 Fr= 1--       8.080                 18.341                 17.858
 ROA3   Fr= 1--       4.925                 -1.157                 -5.791
 CID3   Fr= 1--       0.610                 -0.063                 -0.324
 RC180  Fr= 1--       0.695                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.00   0.01  -0.03    -0.03  -0.02  -0.00
     2   6    -0.03  -0.06   0.03     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.01  -0.01    -0.00   0.01  -0.05    -0.04  -0.02  -0.00
     5   6    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
     6   1     0.42   0.53   0.14    -0.08  -0.05   0.00     0.03   0.08   0.03
     7   1    -0.03  -0.06   0.03     0.02   0.01   0.01     0.00  -0.01   0.02
     8   1    -0.10   0.44  -0.52     0.04  -0.07   0.04     0.01   0.05  -0.09
     9   1    -0.01  -0.01   0.01     0.01   0.01   0.00     0.00  -0.01   0.00
    10   1    -0.01  -0.00  -0.01     0.00  -0.01  -0.01     0.01   0.00   0.00
    11   1     0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01   0.00  -0.00
    12   1    -0.09  -0.06  -0.00     0.02  -0.34  -0.23     0.62   0.29  -0.12
    13   1    -0.01  -0.05   0.10    -0.26  -0.19   0.60    -0.24   0.32  -0.17
    14   1    -0.01   0.08   0.00     0.29   0.31   0.41     0.33  -0.24   0.37
    15   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.01   0.01  -0.01
    16   1     0.04   0.01   0.04     0.01   0.00   0.02    -0.03   0.03  -0.02
    17   1    -0.01  -0.01   0.01    -0.00   0.00   0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9765              2206.9087              2244.6789
 Red. masses --      2.1312                 2.1898                 2.2676
 Frc consts  --      5.9128                 6.2839                 6.7317
 IR Inten    --     15.1615                13.2062                15.0154
 RamAct Fr= 1--     67.8596                70.1047                57.2826
  Dep-P Fr= 1--      0.0018                 0.0561                 0.1669
  Dep-U Fr= 1--      0.0036                 0.1062                 0.2860
 Alpha2 Fr= 1--      1.5016                 1.3648                 0.8482
 Beta2  Fr= 1--      0.0412                 1.2412                 2.7305
 AlphaG Fr= 1--      0.0009                 0.0014                -0.0014
 Gamma2 Fr= 1--      0.0002                 0.3033                -0.5166
 Delta2 Fr= 1--      0.0052                 0.2806                -0.4988
 Raman1 Fr= 1--     271.438                280.419                229.131
 ROA1   Fr= 1--       0.184                 38.098                -65.554
 CID1   Fr= 1--       0.001                  0.136                 -0.286
 Raman2 Fr= 1--       0.494                 14.894                 32.766
 ROA2   Fr= 1--      -0.037                  5.035                 -8.407
 CID2   Fr= 1--      -0.075                  0.338                 -0.257
 Raman3 Fr= 1--       0.989                 29.788                 65.533
 ROA3   Fr= 1--       0.184                 38.098                -65.554
 CID3   Fr= 1--       0.186                  1.279                 -1.000
 RC180  Fr= 1--      -0.993                 -0.788                 -0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.08  -0.13  -0.05
     3   6    -0.07  -0.07  -0.05    -0.01  -0.00  -0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.13  -0.03   0.04     0.01   0.00   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.04   0.06
     7   1     0.01  -0.02  -0.00     0.02  -0.04  -0.01    -0.47   0.82   0.26
     8   1    -0.00   0.00   0.01     0.00   0.00   0.01    -0.05  -0.05  -0.03
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02     0.01  -0.01   0.02
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.03     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01     0.01  -0.01  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.02  -0.04  -0.01    -0.33   0.59   0.17    -0.01   0.01   0.00
    16   1    -0.01  -0.00   0.00     0.08   0.02  -0.07    -0.00   0.01  -0.00
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32    -0.03  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1858              2284.5308              2285.9105
 Red. masses --      2.3739                 2.3767                 2.3786
 Frc consts  --      7.2912                 7.3085                 7.3229
 IR Inten    --      7.5560                16.2135                25.9117
 RamAct Fr= 1--     16.2427                34.5400                54.1517
  Dep-P Fr= 1--      0.7500                 0.7492                 0.7485
  Dep-U Fr= 1--      0.8571                 0.8566                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0013
 Beta2  Fr= 1--      2.3204                 4.9314                 7.7273
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.3216                 0.3586                 1.1697
 Delta2 Fr= 1--     -1.2352                 0.3335                 1.1192
 Raman1 Fr= 1--      64.971                138.160                216.607
 ROA1   Fr= 1--    -166.400                 45.095                148.102
 CID1   Fr= 1--      -2.561                  0.326                  0.684
 Raman2 Fr= 1--      27.845                 59.176                 92.728
 ROA2   Fr= 1--     -21.837                  5.937                 19.118
 CID2   Fr= 1--      -0.784                  0.100                  0.206
 Raman3 Fr= 1--      55.689                118.353                185.455
 ROA3   Fr= 1--    -166.400                 45.095                148.102
 CID3   Fr= 1--      -2.988                  0.381                  0.799
 RC180  Fr= 1--       0.714                  0.713                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.08  -0.11   0.03    -0.10  -0.02   0.16     0.08  -0.10   0.04
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01   0.12   0.06    -0.00   0.00  -0.00    -0.02  -0.12  -0.06
     6   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.01
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   1    -0.17   0.19  -0.38    -0.18   0.20  -0.39    -0.17   0.20  -0.38
    10   1    -0.05  -0.02   0.04     0.61   0.17  -0.48    -0.04  -0.02   0.04
    11   1    -0.24   0.45   0.14     0.15  -0.28  -0.08    -0.23   0.44   0.14
    12   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    13   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    15   1     0.23  -0.41  -0.12     0.01  -0.01  -0.00    -0.24   0.42   0.12
    16   1     0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
    17   1    -0.32  -0.29  -0.23     0.00   0.00  -0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.1605              3044.3833              3064.2556
 Red. masses --      1.0345                 1.0601                 1.0830
 Frc consts  --      5.5635                 5.7891                 5.9913
 IR Inten    --     26.9579                35.2448                23.9575
 RamAct Fr= 1--    130.3383               139.1490               104.5041
  Dep-P Fr= 1--      0.0005                 0.0717                 0.1762
  Dep-U Fr= 1--      0.0010                 0.1337                 0.2996
 Alpha2 Fr= 1--      2.8929                 2.6097                 1.5106
 Beta2  Fr= 1--      0.0223                 3.1015                 5.2183
 AlphaG Fr= 1--     -0.0017                 0.0008                 0.0024
 Gamma2 Fr= 1--     -0.0471                 1.3097                -2.5837
 Delta2 Fr= 1--     -0.0433                 1.2503                -2.4579
 Raman1 Fr= 1--     521.353                556.596                418.016
 ROA1   Fr= 1--      -5.902                165.736               -326.692
 CID1   Fr= 1--      -0.011                  0.298                 -0.782
 Raman2 Fr= 1--       0.268                 37.218                 62.620
 ROA2   Fr= 1--      -0.783                 21.430                -42.346
 CID2   Fr= 1--      -2.927                  0.576                 -0.676
 Raman3 Fr= 1--       0.535                 74.436                125.240
 ROA3   Fr= 1--      -5.902                165.736               -326.692
 CID3   Fr= 1--     -11.030                  2.227                 -2.609
 RC180  Fr= 1--      -0.998                 -0.733                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.00     0.02   0.06  -0.02     0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
     5   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.06  -0.02   0.05
     6   1    -0.03   0.03  -0.06     0.25  -0.30   0.58     0.01  -0.01   0.02
     7   1    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
     8   1     0.05   0.04   0.03    -0.46  -0.42  -0.32    -0.05  -0.05  -0.03
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.02  -0.02   0.04     0.02  -0.02   0.05
    13   1    -0.37  -0.35  -0.26    -0.03  -0.03  -0.02    -0.05  -0.05  -0.04
    14   1     0.43   0.12  -0.35     0.06   0.02  -0.05    -0.04  -0.01   0.04
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.02   0.00
    16   1    -0.03  -0.01   0.02    -0.06  -0.02   0.05     0.73   0.21  -0.62
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3080.7869              3083.9025              3086.2970
 Red. masses --      1.1024                 1.1014                 1.1014
 Frc consts  --      6.1647                 6.1714                 6.1813
 IR Inten    --      0.0101                42.0913                67.0502
 RamAct Fr= 1--     10.6916                72.0561               117.8675
  Dep-P Fr= 1--      0.7486                 0.7446                 0.7490
  Dep-U Fr= 1--      0.8562                 0.8536                 0.8565
 Alpha2 Fr= 1--      0.0002                 0.0066                 0.0020
 Beta2  Fr= 1--      1.5258                10.2512                16.8251
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.1628                 0.6456                 0.4862
 Delta2 Fr= 1--      0.1710                 0.5676                 0.4643
 Raman1 Fr= 1--      42.766                288.224                471.470
 ROA1   Fr= 1--      21.099                 80.139                 61.535
 CID1   Fr= 1--       0.493                  0.278                  0.131
 Raman2 Fr= 1--      18.309                123.014                201.901
 ROA2   Fr= 1--       2.539                 10.952                  7.955
 CID2   Fr= 1--       0.139                  0.089                  0.039
 Raman3 Fr= 1--      36.618                246.029                403.801
 ROA3   Fr= 1--      21.099                 80.139                 61.535
 CID3   Fr= 1--       0.576                  0.326                  0.152
 RC180  Fr= 1--       0.712                  0.707                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.04  -0.01  -0.05     0.00  -0.00   0.00    -0.04  -0.01  -0.05
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.04   0.01   0.05    -0.06  -0.05   0.05    -0.04  -0.01  -0.05
     5   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
     6   1     0.17  -0.23   0.41    -0.01   0.01  -0.02     0.17  -0.23   0.41
     7   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     8   1     0.32   0.31   0.21     0.00   0.00   0.00     0.33   0.31   0.21
     9   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.17   0.23  -0.40    -0.17   0.19  -0.34     0.17  -0.23   0.39
    13   1    -0.32  -0.32  -0.22     0.23   0.23   0.19     0.32   0.32   0.23
    14   1     0.00  -0.00   0.02     0.62   0.15  -0.50     0.01   0.00  -0.03
    15   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.01   0.00  -0.01     0.08   0.02  -0.07     0.03   0.01  -0.02
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   2.01410
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   452.88713 479.32318 485.24320
           X            0.74470  -0.43687  -0.50454
           Y            0.25479   0.88483  -0.39008
           Z            0.61685   0.16194   0.77024
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19125     0.18070     0.17850
 Rotational constants (GHZ):           3.98497     3.76519     3.71925
 Zero-point vibrational energy     366687.6 (Joules/Mol)
                                   87.64044 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    232.24   295.93   334.87   379.34   430.23
          (Kelvin)            442.17   525.06   557.86   564.20   988.30
                             1079.57  1097.59  1152.82  1189.39  1265.01
                             1309.43  1422.86  1481.98  1548.80  1551.01
                             1560.82  1580.17  1710.58  1772.48  1798.12
                             1873.65  1905.00  1912.28  1941.25  2031.69
                             2123.51  2156.29  2156.62  3122.11  3175.25
                             3229.59  3285.00  3286.93  3288.92  4346.78
                             4380.19  4408.78  4432.57  4437.05  4440.49
 
 Zero-point correction=                           0.139664 (Hartree/Particle)
 Thermal correction to Energy=                    0.147316
 Thermal correction to Enthalpy=                  0.148260
 Thermal correction to Gibbs Free Energy=         0.109604
 Sum of electronic and zero-point Energies=           -197.732193
 Sum of electronic and thermal Energies=              -197.724541
 Sum of electronic and thermal Enthalpies=            -197.723597
 Sum of electronic and thermal Free Energies=         -197.762253
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.442             29.040             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.157
 Vibrational             90.664             23.079             16.218
 Vibration     1          0.622              1.890              2.533
 Vibration     2          0.640              1.832              2.082
 Vibration     3          0.653              1.791              1.858
 Vibration     4          0.670              1.740              1.637
 Vibration     5          0.692              1.676              1.422
 Vibration     6          0.697              1.660              1.377
 Vibration     7          0.738              1.544              1.101
 Vibration     8          0.756              1.496              1.009
 Vibration     9          0.760              1.487              0.992
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385120D-50        -50.414404       -116.083454
 Total V=0       0.670642D+14         13.826491         31.836671
 Vib (Bot)       0.122115D-62        -62.913232       -144.863070
 Vib (Bot)    1  0.125192D+01          0.097577          0.224679
 Vib (Bot)    2  0.967295D+00         -0.014441         -0.033252
 Vib (Bot)    3  0.845203D+00         -0.073039         -0.168179
 Vib (Bot)    4  0.735348D+00         -0.133507         -0.307411
 Vib (Bot)    5  0.636338D+00         -0.196312         -0.452026
 Vib (Bot)    6  0.616237D+00         -0.210252         -0.484124
 Vib (Bot)    7  0.500597D+00         -0.300512         -0.691954
 Vib (Bot)    8  0.463782D+00         -0.333686         -0.768340
 Vib (Bot)    9  0.457125D+00         -0.339965         -0.782798
 Vib (V=0)       0.212649D+02          1.327663          3.057056
 Vib (V=0)    1  0.184807D+01          0.266719          0.614144
 Vib (V=0)    2  0.158888D+01          0.201091          0.463029
 Vib (V=0)    3  0.148202D+01          0.170855          0.393408
 Vib (V=0)    4  0.138923D+01          0.142775          0.328752
 Vib (V=0)    5  0.130927D+01          0.117031          0.269473
 Vib (V=0)    6  0.129357D+01          0.111789          0.257403
 Vib (V=0)    7  0.120753D+01          0.081898          0.188576
 Vib (V=0)    8  0.118198D+01          0.072609          0.167189
 Vib (V=0)    9  0.117747D+01          0.070949          0.163367
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116181D+06          5.065135         11.662903
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 1 1111 11 11111 1                                          
   000000                            2222 21                          444 4 3333 22 10000 0 9  98 8 877 6          333 32 222 1      
   888642                            8884 07                          997 1 4220 53 89877 3 8  17 2 065 8          986 09 630 6      
   641441                            6535 70                          996 2 9942 02 98586 0 9  09 7 130 7          285 79 436 1      
 
   XX XXX                            XXXX XX                          XXX X XXXX XX XXXXX X    XX X XXX             X                
   XX XXX                            XXXX XX                          XX      X  XX                                                  
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX    X                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  XX                            X                                                                                               
   XX  X                                                                                                                             
   XX  X                                                                                                                             
   XX  X                                                                                                                             
   XX                                                                                                                                
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.655234D+02 -0.432230D-02 -0.253164D-01
      2  -0.432230D-02  0.655226D+02 -0.269344D-01
      3  -0.253164D-01 -0.269344D-01  0.655269D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.106821D-01  0.500768D-01 -0.317132D-01
      2  -0.739310D-01 -0.189180D-01 -0.114628D-01
      3   0.350115D-01 -0.544917D-01  0.101928D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.598799D+00  0.308619D-01  0.233625D+01
      2   0.295021D+01 -0.181890D+01 -0.833962D+00
      3  -0.235141D+01  0.178803D+01 -0.150229D+01
      4  -0.313551D-01  0.289940D+01  0.302745D+01
      5   0.225236D+01  0.305092D+01 -0.243734D+01
      6   0.305264D+01 -0.959068D+00  0.171761D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.999905D+00  0.285271D-01  0.355020D+01  0.209982D-01  0.449243D+01
      2   0.285271D-01  0.448335D+01  0.480645D+01  0.449243D+01 -0.278836D+01
      3   0.355020D+01  0.480645D+01 -0.359146D+01  0.479631D+01 -0.127775D+01
                 6             7             8             9            10 
      1   0.479631D+01  0.356568D+01  0.479094D+01 -0.355328D+01 -0.816954D+00
      2  -0.127775D+01  0.479094D+01 -0.128827D+01  0.270820D+01 -0.411696D-01
      3   0.268097D+01 -0.355328D+01  0.270820D+01 -0.223335D+01 -0.257607D+01
                11            12            13            14            15 
      1  -0.411696D-01 -0.257607D+01  0.184779D+00 -0.435918D+01 -0.382881D+01
      2  -0.360726D+01 -0.382649D+01 -0.435918D+01  0.139919D+01  0.177551D+01
      3  -0.382649D+01  0.298859D+01 -0.382881D+01  0.177551D+01 -0.191670D+01
                16            17            18            19            20 
      1  -0.310917D+01 -0.379686D+01  0.224710D+01  0.225117D+01  0.325912D+00
      2  -0.379686D+01  0.126334D+01 -0.214695D+01  0.325912D+00 -0.357550D+01
      3   0.224710D+01 -0.214695D+01  0.312336D+01 -0.242868D+01 -0.396494D+01
                21            22            23            24            25 
      1  -0.242868D+01 -0.275827D+00 -0.301047D+01 -0.399189D+01 -0.286604D+01
      2  -0.396494D+01 -0.301047D+01  0.358469D+01  0.123446D+01 -0.399727D+01
      3   0.266563D+01 -0.399189D+01  0.123446D+01 -0.200904D+01  0.325808D+01
                26            27            28            29            30 
      1  -0.399727D+01  0.325808D+01  0.196279D+01 -0.808838D+00 -0.289462D+01
      2   0.859027D+00 -0.142673D+01 -0.808838D+00 -0.383402D+01 -0.378625D+01
      3  -0.142673D+01  0.289517D+01 -0.289462D+01 -0.378625D+01  0.282041D+01
                31            32            33            34            35 
      1   0.236009D-01 -0.344238D+01 -0.380365D+01 -0.260925D+01 -0.378170D+01
      2  -0.344238D+01  0.582990D+00  0.977079D+00 -0.378170D+01  0.127965D+01
      3  -0.380365D+01  0.977079D+00 -0.225357D+01  0.325001D+01 -0.310058D+01
                36            37            38            39            40 
      1   0.325001D+01 -0.365915D+00  0.470684D+00 -0.357081D+01  0.616300D-01
      2  -0.310058D+01  0.470684D+00 -0.335830D+01 -0.385095D+01 -0.372340D+01
      3   0.843381D+00 -0.357081D+01 -0.385095D+01  0.306922D+01 -0.386464D+01
                41            42            43            44            45 
      1  -0.372340D+01 -0.386464D+01 -0.275798D+01 -0.385669D+01  0.267928D+01
      2   0.325986D+01  0.160642D+00 -0.385669D+01  0.101754D+01 -0.201756D+01
      3   0.160642D+00 -0.236115D+01  0.267928D+01 -0.201756D+01  0.111136D+00
                46            47            48            49            50 
      1  -0.785103D+00  0.507767D+00 -0.747345D+00  0.661211D+00  0.255065D+00
      2   0.507767D+00 -0.440541D+00  0.942125D+00  0.255065D+00  0.194815D+01
      3  -0.747345D+00  0.942125D+00 -0.201388D+01  0.361944D+00 -0.216996D+01
                51            52            53            54            55 
      1   0.361944D+00 -0.994922D+00  0.413614D+00 -0.379056D+00  0.341027D+01
      2  -0.216996D+01  0.413614D+00 -0.202593D+01  0.255945D+01 -0.194514D+01
      3   0.268125D+01 -0.379056D+00  0.255945D+01 -0.721592D+01 -0.107331D+01
                56            57            58            59            60 
      1  -0.194514D+01 -0.107331D+01 -0.308675D+01  0.278988D+01  0.170646D+01
      2   0.210301D+01  0.105887D+01  0.278988D+01 -0.454690D+01 -0.168888D+01
      3   0.105887D+01  0.842102D+00  0.170646D+01 -0.168888D+01 -0.182846D+01
                61            62            63            64            65 
      1  -0.711359D+00  0.101308D+01  0.996622D+00  0.519948D+01  0.247291D+01
      2   0.101308D+01 -0.113827D+01 -0.103010D+01  0.247291D+01  0.239948D+01
      3   0.996622D+00 -0.103010D+01 -0.180417D+01  0.879477D+00  0.708828D+00
                66            67            68            69            70 
      1   0.879477D+00  0.294630D+01  0.287772D+01  0.643034D+00  0.223170D+01
      2   0.708828D+00  0.287772D+01  0.324364D+01  0.399423D+00  0.127166D+01
      3   0.781100D+00  0.643034D+00  0.399423D+00  0.116719D+01  0.839335D+00
                71            72            73            74            75 
      1   0.127166D+01  0.839335D+00 -0.248163D+01  0.335107D+00 -0.177753D+01
      2   0.113943D+01  0.103499D+01  0.335107D+00 -0.252129D+00  0.655607D+00
      3   0.103499D+01  0.962591D+00 -0.177753D+01  0.655607D+00 -0.226857D+01
                76            77            78            79            80 
      1   0.121549D+01 -0.363644D+00  0.126064D+01 -0.211861D+01  0.581983D+00
      2  -0.363644D+00  0.870821D+00 -0.126317D+01  0.581983D+00 -0.141038D+01
      3   0.126064D+01 -0.126317D+01  0.213100D+01 -0.292089D+01  0.879221D+00
                81            82            83            84            85 
      1  -0.292089D+01 -0.626141D+01 -0.194022D+01  0.193557D+01 -0.126250D+01
      2   0.879221D+00 -0.194022D+01 -0.136157D+01  0.845714D+00 -0.119680D+01
      3  -0.650603D+01  0.193557D+01  0.845714D+00 -0.185680D+01  0.810224D+00
                86            87            88            89            90 
      1  -0.119680D+01  0.810224D+00  0.327548D+01  0.144416D+01 -0.209192D+01
      2  -0.165637D+01  0.541076D+00  0.144416D+01  0.129142D+01 -0.620369D+00
      3   0.541076D+00 -0.316407D+00 -0.209192D+01 -0.620369D+00  0.199042D+01
                91            92            93            94            95 
      1   0.110701D+01 -0.132582D+01 -0.235906D+00 -0.137168D+01  0.116675D+01
      2  -0.132582D+01  0.273531D+01  0.110201D+01  0.116675D+01 -0.758158D+01
      3  -0.235906D+00  0.110201D+01  0.700681D+00  0.554782D+00 -0.216528D+01
                96            97            98            99           100 
      1   0.554782D+00 -0.152467D+00  0.597383D+00  0.388658D-01 -0.215995D+01
      2  -0.216528D+01  0.597383D+00 -0.173228D+01 -0.148172D+01  0.148390D+01
      3  -0.154211D+01  0.388658D-01 -0.148172D+01 -0.160023D+01 -0.107536D+01
               101           102           103           104           105 
      1   0.148390D+01 -0.107536D+01  0.109757D+01 -0.107000D+01  0.107713D+01
      2  -0.105405D+01  0.115033D+01 -0.107000D+01  0.320241D+01 -0.187710D+01
      3   0.115033D+01 -0.152641D+01  0.107713D+01 -0.187710D+01  0.178619D+01
               106           107           108           109           110 
      1  -0.179018D+01  0.173628D+01 -0.189869D+01  0.220471D+01  0.177408D+01
      2   0.173628D+01 -0.322134D+01  0.251155D+01  0.177408D+01  0.332550D+01
      3  -0.189869D+01  0.251155D+01 -0.416242D+01  0.130759D+01  0.150068D+01
               111           112           113           114           115 
      1   0.130759D+01  0.138439D+01  0.183207D+01  0.967834D+00  0.120187D+01
      2   0.150068D+01  0.183207D+01  0.505769D+01  0.185904D+01  0.982322D+00
      3   0.123421D+01  0.967834D+00  0.185904D+01  0.174248D+01  0.630112D+00
               116           117           118           119           120 
      1   0.982322D+00  0.630112D+00 -0.560167D+01  0.599200D+00  0.297903D+01
      2   0.212658D+01  0.214364D+01  0.599200D+00 -0.917562D+00  0.264245D-01
      3   0.214364D+01  0.213517D+01  0.297903D+01  0.264245D-01 -0.271581D+01
               121           122           123           124           125 
      1  -0.716252D+00 -0.488282D+00  0.644196D+00  0.313559D+01 -0.462958D-01
      2  -0.488282D+00 -0.314756D+00  0.548164D+00 -0.462958D-01  0.945361D+00
      3   0.644196D+00  0.548164D+00 -0.325975D+00 -0.285110D+01  0.616176D+00
               126           127           128           129           130 
      1  -0.285110D+01  0.256910D+01 -0.225888D+01  0.495896D+00 -0.230676D+01
      2   0.616176D+00 -0.225888D+01  0.283892D+01  0.141312D+00  0.300639D+01
      3   0.343230D+01  0.495896D+00  0.141312D+00  0.484232D+00  0.112325D+00
               131           132           133           134           135 
      1   0.300639D+01  0.112325D+00 -0.342550D+00  0.735316D+00  0.270696D+00
      2  -0.680723D+01  0.370731D+00  0.735316D+00 -0.110100D+01 -0.688843D+00
      3   0.370731D+00 -0.115511D+01  0.270696D+00 -0.688843D+00 -0.419353D+00
               136           137           138           139           140 
      1  -0.323560D+01 -0.940502D+00  0.258538D+01 -0.646264D+00 -0.529365D+00
      2  -0.940502D+00 -0.114105D+01  0.142535D+01 -0.529365D+00 -0.141685D+01
      3   0.258538D+01  0.142535D+01 -0.380586D+01  0.885086D+00  0.126401D+01
               141           142           143           144           145 
      1   0.885086D+00  0.204659D+01  0.910662D+00 -0.230573D+01  0.400360D+01
      2   0.126401D+01  0.910662D+00  0.109728D+01 -0.121152D+01  0.126248D+01
      3  -0.926155D+00 -0.230573D+01 -0.121152D+01  0.510539D+01  0.264649D+01
               146           147           148           149           150 
      1   0.126248D+01  0.264649D+01  0.207007D+01  0.176321D+01  0.166904D+01
      2   0.165641D+01  0.106491D+01  0.176321D+01  0.196261D+01  0.131201D+01
      3   0.106491D+01  0.219262D+01  0.166904D+01  0.131201D+01  0.244560D+01
               151           152           153 
      1   0.199560D+01  0.100141D+01  0.179056D+01
      2   0.100141D+01  0.897851D+00  0.127116D+01
      3   0.179056D+01  0.127116D+01  0.334256D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.479350D-02  0.238347D-01 -0.197400D-01  0.165309D-01 -0.350121D-02
      2   0.132499D-01  0.163845D-01  0.497557D+01 -0.132559D-01 -0.288643D-01
      3   0.137094D-01 -0.499576D+01 -0.190966D-02  0.498476D+01 -0.393805D-02
                 6             7             8             9            10 
      1  -0.498480D+01  0.386532D-02  0.495947D+01 -0.494089D-01  0.101396D+01
      2   0.202306D-01 -0.497802D+01 -0.911976D-02  0.255427D-01 -0.644590D+01
      3   0.196989D-01  0.172502D-01  0.106078D-01  0.123572D-01 -0.914368D+00
                11            12            13            14            15 
      1   0.623209D+01  0.341627D+01  0.784424D+01 -0.174622D+01 -0.429311D+01
      2  -0.569146D+01  0.355890D+01 -0.526993D+01 -0.254571D+01 -0.722538D+01
      3   0.362927D+01  0.467736D+01  0.969977D+01 -0.294871D+01 -0.531259D+01
                16            17            18            19            20 
      1   0.399251D+01  0.911265D+00  0.730930D+00 -0.306365D+01 -0.187686D+01
      2  -0.352450D+01 -0.781850D+01  0.883230D+01  0.600815D+01  0.585853D+01
      3   0.423551D+01 -0.382102D+01  0.382501D+01 -0.378521D+01 -0.715520D+01
                21            22            23            24            25 
      1   0.685250D+01 -0.291620D+01 -0.274198D+01 -0.529731D+01  0.827371D+01
      2  -0.321018D+01  0.485984D+01 -0.399454D+01 -0.146002D+01 -0.920081D+01
      3  -0.278905D+01 -0.621045D+00  0.934394D+01  0.690452D+01 -0.179699D+01
                26            27            28            29            30 
      1   0.440790D+00  0.565754D+01  0.411914D+01  0.428400D+01 -0.669705D+01
      2  -0.286408D+01 -0.190471D+01  0.112201D+01  0.433481D+01  0.690752D+00
      3   0.591889D+01 -0.541768D+01  0.401586D+01 -0.829804D+01 -0.845126D+01
                31            32            33            34            35 
      1   0.468440D+01 -0.216909D+01  0.274501D+01 -0.798536D+01  0.938269D+01
      2   0.355536D+01  0.704656D+00  0.422902D+01 -0.413213D+01  0.557876D+01
      3  -0.117145D+01 -0.651983D+01 -0.539579D+01 -0.763276D+01 -0.491219D+01
                36            37            38            39            40 
      1  -0.178370D+01 -0.219586D+01 -0.849533D+01 -0.358929D+01 -0.971048D+01
      2  -0.175983D+01 -0.596520D+00 -0.434061D+01  0.112607D+02 -0.310611D+01
      3   0.238504D+01  0.660591D+00 -0.541587D+00  0.652622D+01  0.451632D+01
                41            42            43            44            45 
      1   0.656824D+01 -0.535078D+01 -0.412092D+01  0.155508D+01 -0.448050D+01
      2   0.575054D+01  0.447482D+01  0.444739D+01  0.493155D+01 -0.528686D+01
      3   0.211684D+00  0.397525D+01  0.525802D+01  0.279007D+01 -0.797157D+00
                46            47            48            49            50 
      1  -0.309704D+00  0.744539D+00  0.384897D-01 -0.414724D+00 -0.221885D+01
      2  -0.276588D+01  0.176432D+01 -0.241162D+01  0.255673D+01 -0.247470D+01
      3  -0.142298D+01 -0.808996D-01 -0.145317D+01  0.138576D+01 -0.208596D+01
                51            52            53            54            55 
      1   0.119034D+00 -0.455338D+00  0.387430D+01  0.691616D+00  0.260108D+01
      2   0.418166D+01 -0.490876D+01  0.423941D+01 -0.982868D+01  0.264023D+01
      3   0.287608D+01 -0.217044D+01  0.275118D+01 -0.379042D+01  0.276654D+01
                56            57            58            59            60 
      1  -0.362834D+01 -0.734862D+00 -0.350167D+01  0.675570D+01  0.136921D+00
      2  -0.720693D+00  0.146751D+01 -0.179287D+01  0.924486D+00 -0.171728D+01
      3  -0.550206D+01 -0.186840D+01 -0.252866D+01  0.879035D+01  0.258413D+01
                61            62            63            64            65 
      1  -0.155843D+01  0.282756D+01  0.105375D+01 -0.317587D+01 -0.279358D+01
      2  -0.648650D+00 -0.538463D-01 -0.161698D+01  0.630508D+01  0.402504D+01
      3  -0.143964D+01  0.264496D+01  0.162155D+01 -0.384496D+00 -0.443399D+01
                66            67            68            69            70 
      1  -0.237150D+01 -0.325172D+01 -0.316266D+01 -0.290218D+01 -0.161833D+01
      2   0.443997D+01  0.392547D+01  0.380554D+01  0.393970D+01  0.222633D+01
      3  -0.856912D+00 -0.107188D+01 -0.431494D+01 -0.541967D+00 -0.195101D+00
                71            72            73            74            75 
      1  -0.745637D+00 -0.225565D+01 -0.210286D+01  0.195151D+01 -0.320897D+01
      2   0.280508D+01  0.320306D+01 -0.866814D+00 -0.683615D+00  0.265979D+01
      3  -0.182062D+01 -0.118810D+01  0.252363D+01 -0.202658D+01  0.277090D+01
                76            77            78            79            80 
      1   0.142290D+01 -0.301899D+01  0.238809D+01 -0.360029D+01  0.524248D+01
      2   0.393055D+00  0.127440D+01 -0.188876D+01 -0.832140D+00 -0.865256D+00
      3  -0.487837D+00  0.196406D+01 -0.269413D+01  0.254006D+01 -0.365430D+01
                81            82            83            84            85 
      1  -0.740580D+01  0.385002D+01  0.114299D+01 -0.378848D+01  0.183283D+01
      2   0.599771D+01 -0.634123D+01 -0.241751D+01  0.667085D+01 -0.200454D+01
      3   0.447159D+01  0.515667D+01 -0.178395D+01 -0.142778D+01  0.125317D+01
                86            87            88            89            90 
      1   0.134914D+01 -0.180319D+01 -0.329501D+01 -0.563598D-01  0.333346D+01
      2  -0.137784D+01  0.167806D+01  0.361890D+01  0.154470D+01 -0.542821D+01
      3  -0.111974D+01 -0.459828D+00 -0.240258D+01  0.112510D+01  0.176095D+01
                91            92            93            94            95 
      1   0.931016D+00 -0.131276D+01  0.806196D+00 -0.510319D+00  0.437449D+01
      2   0.162742D+01 -0.220743D+01  0.178038D+00 -0.278857D+01  0.361661D+01
      3  -0.392776D+01  0.348369D+01  0.127762D+01  0.633543D+01 -0.947251D+01
                96            97            98            99           100 
      1  -0.259034D+01 -0.574773D+00  0.952971D+00 -0.118371D+01  0.213966D+01
      2   0.165527D+01 -0.122470D+01  0.203825D+01  0.139151D+01  0.963132D+00
      3  -0.310039D+01  0.160298D+01 -0.279992D+01 -0.147343D+01 -0.240899D+01
               101           102           103           104           105 
      1  -0.180651D+01  0.385957D+01 -0.229632D+01  0.322593D+01 -0.545092D+01
      2  -0.157559D+01  0.315946D+01 -0.766508D+00  0.210805D+01 -0.283107D+01
      3   0.195025D-01 -0.553211D+00  0.224456D+01  0.148930D+01  0.201139D+00
               106           107           108           109           110 
      1   0.350014D+01 -0.278133D+01  0.896355D+01 -0.131259D+01 -0.585287D-01
      2   0.319452D+00 -0.265055D+01  0.542618D+01 -0.296081D+01 -0.199168D+01
      3  -0.230417D+01 -0.888469D+00 -0.844011D+00  0.632112D+01  0.366430D+01
               111           112           113           114           115 
      1  -0.225820D+01 -0.832326D+00  0.181251D+00 -0.378969D+01 -0.580737D+00
      2  -0.288831D+00 -0.246280D+01 -0.244845D+01 -0.128702D+01 -0.252441D+01
      3   0.330157D+01  0.609092D+01  0.605266D+01  0.327210D+01  0.399748D+01
               116           117           118           119           120 
      1  -0.864675D+00 -0.297160D+01 -0.442124D+01 -0.198784D+01  0.447051D+01
      2  -0.199678D+01 -0.127797D+01  0.112584D+01 -0.396461D+00  0.321646D+01
      3   0.287895D+01  0.259725D+01 -0.784191D+01 -0.267266D+01  0.480840D+01
               121           122           123           124           125 
      1  -0.105590D+01 -0.124916D+01 -0.615664D-01  0.430084D+01  0.164923D+01
      2   0.120470D-01 -0.262015D+00  0.226112D+00 -0.670839D+00 -0.466517D+00
      3  -0.536860D+00 -0.136866D+01  0.132006D+01  0.507037D+01  0.234790D+01
               126           127           128           129           130 
      1  -0.468118D+01 -0.279679D+01  0.467456D+01  0.190970D+01  0.470674D+01
      2  -0.274466D+01 -0.307547D+01  0.336566D+01  0.121121D+01  0.357411D+01
      3  -0.384895D+01 -0.157427D+01 -0.146574D+01 -0.590001D+00  0.236108D+01
               131           132           133           134           135 
      1  -0.969489D+01 -0.364382D+01  0.111250D+01 -0.122701D+01 -0.181101D+01
      2  -0.444652D+01 -0.233184D+01 -0.205483D+00 -0.136963D+01 -0.971736D+00
      3   0.303909D+01 -0.269497D+00  0.127896D+00  0.358376D+00  0.252952D+00
               136           137           138           139           140 
      1   0.719572D+00 -0.182833D+01 -0.135107D+01  0.928858D-01 -0.144619D+01
      2   0.817569D+01  0.206667D+01 -0.419926D+01  0.218534D+01  0.131108D+01
      3   0.385434D+01 -0.427490D+00 -0.278427D+01  0.181481D+01  0.737413D+00
               141           142           143           144           145 
      1  -0.499546D-01 -0.480293D+00  0.259192D+01  0.259252D+01  0.400891D+01
      2  -0.179446D+01 -0.709551D+01 -0.216814D+01  0.556385D+01 -0.494421D+01
      3  -0.140120D+01 -0.300019D+01 -0.505130D+00  0.265849D+01 -0.304565D+01
               146           147           148           149           150 
      1   0.473456D+01  0.266591D+01  0.390520D+01  0.501197D+01  0.205809D+01
      2  -0.142156D+01 -0.608812D+00 -0.285738D+01 -0.191673D+01  0.130953D+00
      3  -0.418026D+01 -0.256846D+01 -0.150289D+01 -0.380171D+01 -0.199384D+01
               151           152           153 
      1   0.307907D+01  0.405470D+01  0.358154D+01
      2  -0.343207D+01 -0.867831D+00  0.395734D+00
      3  -0.190770D+01 -0.242438D+01 -0.222544D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.355476D+01 -0.276119D+01  0.254310D+01 -0.275814D+01 -0.145536D+01
      2  -0.136870D+01  0.294387D+01 -0.114401D+01  0.296176D+01  0.104017D+01
      3  -0.218605D+01 -0.182676D+00 -0.139909D+01 -0.203622D+00  0.415192D+00
      4  -0.273496D+01 -0.256527D+01 -0.713083D+00 -0.255791D+01  0.293795D+01
      5   0.248325D+01 -0.714973D+00 -0.341201D+01 -0.752820D+00 -0.112593D+01
      6  -0.727118D+00 -0.118181D+01 -0.169662D+00 -0.114944D+01 -0.343811D+01
                 6             7             8             9            10 
      1  -0.731357D+00  0.250179D+01 -0.776770D+00 -0.223160D+01 -0.586260D+01
      2  -0.340892D+01 -0.115526D+01 -0.340771D+01  0.383198D+00 -0.354899D+01
      3   0.414028D+01 -0.134653D+01  0.418448D+01  0.184841D+01  0.941159D+01
      4  -0.115735D+01 -0.743149D+00 -0.119868D+01 -0.185345D+00 -0.141467D+01
      5  -0.259653D+00 -0.334765D+01 -0.205402D+00 -0.137243D+01 -0.567847D+01
      6  -0.710594D+00 -0.186500D+00 -0.732037D+00  0.425312D+01 -0.406448D+01
                11            12            13            14            15 
      1  -0.444587D+01 -0.154566D+01 -0.417896D+01 -0.822154D+01 -0.140208D+02
      2  -0.609580D+01  0.361208D+01 -0.542736D+01  0.483376D+01  0.172610D+01
      3   0.105417D+02 -0.206642D+01  0.960633D+01  0.338777D+01  0.122947D+02
      4  -0.123023D+02 -0.983975D+01 -0.138499D+02  0.235993D+01  0.180139D+01
      5  -0.852039D+01  0.612878D+01 -0.958700D+01  0.685050D+01  0.312424D+01
      6   0.392594D+01  0.885288D+01  0.500305D+01 -0.385376D+01 -0.709983D+01
                16            17            18            19            20 
      1  -0.284020D+01 -0.142544D+02  0.136698D+02 -0.858305D+01 -0.937014D+01
      2   0.297458D+01  0.217617D+01 -0.127535D+01  0.244711D+01  0.669495D+01
      3  -0.134375D+00  0.120782D+02 -0.123944D+02  0.613595D+01  0.267520D+01
      4  -0.109933D+02  0.433967D+00 -0.111426D+01 -0.401649D+01  0.136156D+01
      5   0.604869D+01  0.225815D+01 -0.117224D+01  0.505206D+01  0.691684D+01
      6   0.701768D+01 -0.693957D+01  0.784208D+01  0.625330D+01  0.108813D+02
                21            22            23            24            25 
      1   0.510680D+01 -0.868884D+01  0.138934D+02  0.914413D+01  0.630006D+01
      2   0.878813D+01  0.474404D+01 -0.142484D+02 -0.112440D+02  0.788520D+01
      3  -0.138949D+02  0.394480D+01  0.354955D+00  0.209990D+01 -0.141853D+02
      4   0.106778D+02  0.238102D+01  0.330909D+01  0.461985D+01  0.119192D+02
      5  -0.607717D+01  0.745198D+01  0.392791D+01  0.828788D+01 -0.742912D+01
      6   0.224369D+00  0.957144D+01 -0.747076D+01 -0.165494D+01 -0.116242D+00
                26            27            28            29            30 
      1   0.989952D+01 -0.536742D+01 -0.317715D+01  0.723969D+01  0.109163D+02
      2  -0.108663D+02  0.115031D+02  0.478032D+01 -0.931599D+01 -0.167100D+02
      3   0.966787D+00 -0.613567D+01 -0.160317D+01  0.207630D+01  0.579373D+01
      4   0.501671D+01  0.368541D+00  0.215915D+01 -0.104852D+01 -0.225066D+01
      5   0.665189D+01 -0.908293D+01  0.648335D+01  0.287287D+01 -0.104683D+02
      6  -0.110921D+01  0.103305D+01 -0.550904D+01 -0.131903D+02  0.433363D+01
                31            32            33            34            35 
      1   0.650885D+01  0.547958D+01  0.594456D+01  0.111195D+02  0.486036D+01
      2  -0.810533D+01 -0.260136D+01 -0.691073D+00 -0.164681D+02 -0.297368D-01
      3   0.159648D+01 -0.287823D+01 -0.525349D+01  0.534858D+01 -0.483062D+01
      4   0.198328D+00 -0.103077D+02 -0.111474D+02 -0.127309D+01 -0.121674D+02
      5   0.480247D+01 -0.655846D+01  0.591743D+00 -0.107099D+02  0.240729D+01
      6  -0.120508D+02  0.205416D+01 -0.846579D+01  0.532404D+01 -0.986889D+01
                36            37            38            39            40 
      1  -0.198367D+01  0.275834D+01  0.182363D+01 -0.103874D+02  0.175790D+01
      2  -0.266221D+01  0.409697D+01  0.136200D+02  0.247197D+01  0.135873D+02
      3   0.464587D+01 -0.685531D+01 -0.154436D+02  0.791545D+01 -0.153452D+02
      4   0.826677D+01 -0.135749D+01 -0.776877D+01  0.114689D+00 -0.830099D+01
      5   0.148708D+00 -0.208947D+01 -0.260531D+01 -0.103654D+02 -0.390652D+01
      6   0.286880D+01  0.181680D+01 -0.348682D+01 -0.134211D+02 -0.428205D+01
                41            42            43            44            45 
      1  -0.303677D+01 -0.235378D+01 -0.105371D+02 -0.164482D+01  0.541312D+00
      2  -0.722560D+01  0.416625D+01  0.393789D+01  0.274833D+01  0.342656D+01
      3   0.102624D+02 -0.181247D+01  0.659924D+01 -0.110351D+01 -0.396787D+01
      4   0.932006D+01  0.292489D+01 -0.726091D+00  0.509455D+01 -0.784989D+01
      5  -0.616329D+01 -0.121925D+02 -0.855836D+01 -0.113021D+02  0.775447D+01
      6   0.327671D+01  0.546332D+00 -0.123322D+02  0.117097D+01 -0.479604D+01
                46            47            48            49            50 
      1  -0.223300D+01  0.332471D+01 -0.571046D+01  0.264590D+01 -0.630696D+01
      2  -0.394848D+00 -0.981218D+00 -0.138355D+01 -0.743666D+00  0.240345D+01
      3   0.262785D+01 -0.234350D+01  0.709401D+01 -0.190224D+01  0.390352D+01
      4  -0.654639D+00  0.234617D+01 -0.299329D+00  0.358481D+01  0.245063D+01
      5   0.284810D+01 -0.867429D+00  0.320930D+01 -0.161818D+01 -0.284164D+01
      6  -0.218002D+01  0.271099D+01 -0.372645D+01  0.246899D+00 -0.911774D+01
                51            52            53            54            55 
      1   0.941348D+01 -0.399940D+01  0.923735D+01 -0.204223D+02  0.133855D+02
      2  -0.144297D+00  0.978968D+00 -0.156632D+00 -0.104529D+02 -0.762968D+01
      3  -0.926919D+01  0.302043D+01 -0.908072D+01  0.308752D+02 -0.575579D+01
      4  -0.303355D+01 -0.752223D+00 -0.323000D+01  0.366889D+01 -0.846485D+01
      5   0.347149D+01  0.539253D+01  0.303998D+01 -0.919298D+01 -0.991456D+01
      6   0.118627D+02 -0.138848D+01  0.114887D+02 -0.157168D+02  0.511996D+01
                56            57            58            59            60 
      1  -0.609774D+01 -0.318409D+01 -0.843040D+01  0.313726D+01  0.150351D+01
      2   0.447009D+01  0.392577D+01  0.570832D+01  0.665716D+00 -0.380352D+01
      3   0.162765D+01 -0.741681D+00  0.272208D+01 -0.380297D+01  0.230001D+01
      4   0.104051D+02  0.414446D+01  0.120258D+02 -0.157897D+02 -0.497847D+01
      5   0.692342D+01  0.695255D+01  0.985154D+01 -0.773866D+01 -0.851741D+01
      6  -0.522986D+01 -0.358052D+01 -0.635874D+01  0.121770D+02  0.735888D+01
                61            62            63            64            65 
      1  -0.177994D+01  0.153944D+01 -0.104883D+01  0.229671D+02  0.930895D+01
      2   0.362128D+01 -0.280803D+01 -0.391904D+01 -0.628082D+01  0.808270D+00
      3  -0.184134D+01  0.126859D+01  0.496788D+01 -0.166863D+02 -0.101172D+02
      4   0.376566D+01 -0.361757D+01 -0.385109D+01  0.153726D+02  0.133906D+02
      5   0.680642D+01 -0.571836D+01 -0.690408D+01 -0.184222D+01 -0.162775D+00
      6  -0.388517D+01  0.638750D+01  0.345332D+01 -0.166554D+01 -0.262386D+01
                66            67            68            69            70 
      1   0.397851D+01  0.101224D+02  0.522700D+01  0.287181D+01  0.766445D+01
      2  -0.293043D+00  0.961059D+00  0.593074D+01  0.171892D+01 -0.191610D+01
      3  -0.368546D+01 -0.110835D+02 -0.111577D+02 -0.459073D+01 -0.574835D+01
      4   0.334476D+01  0.148856D+02  0.143266D+02  0.229778D+01  0.573779D+01
      5   0.441958D+01 -0.807578D+00 -0.103959D+01  0.355444D+01  0.357553D+01
      6   0.551468D+00 -0.277695D+01 -0.207418D+01  0.328108D+01  0.649304D+00
                71            72            73            74            75 
      1   0.322382D+01  0.172202D+01  0.756722D+01 -0.526675D+00  0.366383D+01
      2   0.212895D+01 -0.372484D-01 -0.855842D+01  0.152346D+01 -0.895985D+01
      3  -0.535277D+01 -0.168477D+01  0.991206D+00 -0.996789D+00  0.529603D+01
      4   0.491855D+01  0.389077D+01  0.137113D+01  0.273687D+01 -0.426413D+00
      5   0.273299D+01  0.450298D+01  0.103566D+02 -0.278383D+01  0.128890D+02
      6   0.237420D+01  0.101861D+01  0.461674D+00  0.360207D+00  0.197381D+01
                76            77            78            79            80 
      1  -0.236632D+01 -0.137987D+01 -0.660743D+00  0.360758D+01 -0.154380D+01
      2   0.319637D+01 -0.133208D+01  0.689732D+01 -0.100165D+02  0.556063D+01
      3  -0.830048D+00  0.271195D+01 -0.623658D+01  0.640892D+01 -0.401682D+01
      4   0.212618D+01 -0.368844D+01  0.284346D+01  0.227191D+00  0.363791D+01
      5  -0.536942D+01  0.343308D+01 -0.637145D+01  0.143345D+02 -0.323976D+01
      6   0.592892D+00 -0.233961D+01  0.359635D+01  0.231563D+01  0.485945D+01
                81            82            83            84            85 
      1  -0.323958D+01  0.261683D+02  0.590140D+01 -0.783593D+01  0.417857D+01
      2  -0.190995D+02 -0.807845D+01  0.120734D+01  0.918675D+00  0.187889D+01
      3   0.223391D+02 -0.180899D+02 -0.710874D+01  0.691726D+01 -0.605746D+01
      4  -0.435592D-01  0.173453D+02  0.105133D+02 -0.584402D+01  0.937056D+01
      5   0.211968D+02 -0.406413D+01 -0.138023D+01  0.732333D+01 -0.135683D+01
      6   0.445959D+01 -0.397817D+01 -0.206584D+01  0.434382D+01 -0.240679D+01
                86            87            88            89            90 
      1   0.117267D+01 -0.174813D+01 -0.110108D+02 -0.198772D+01  0.528644D+01
      2   0.438658D+01 -0.302070D+00  0.222136D+01 -0.157046D+01 -0.310907D+01
      3  -0.555925D+01  0.205020D+01  0.878943D+01  0.355819D+01 -0.217737D+01
      4   0.688387D+01 -0.407026D+01 -0.885462D+01 -0.671180D+01  0.473505D+01
      5  -0.189125D+01  0.619877D+00  0.736348D+01  0.148431D+01 -0.686320D+01
      6  -0.570275D+00  0.296347D+01  0.437300D+01  0.305637D+01 -0.589649D+01
                91            92            93            94            95 
      1  -0.241474D+01  0.801182D+01  0.228590D+01  0.606829D+01 -0.223119D+02
      2   0.422736D+01 -0.975832D+01 -0.190664D+01 -0.582222D+01  0.326933D+02
      3  -0.181263D+01  0.174650D+01 -0.379266D+00 -0.246072D+00 -0.103814D+02
      4  -0.378713D+01  0.425542D+01  0.267338D+00  0.553730D+01  0.429124D+01
      5  -0.314684D+01  0.184590D+01  0.207715D+01  0.225829D+01 -0.374484D+00
      6   0.243858D+01 -0.589972D+01 -0.426377D+01 -0.313586D+01  0.177435D+02
                96            97            98            99           100 
      1  -0.794883D+01  0.104679D+01 -0.733691D+01 -0.522867D+01  0.469872D+01
      2   0.715275D+01 -0.159945D+01  0.601884D+01  0.240745D+01  0.414267D+00
      3   0.796072D+00  0.552660D+00  0.131807D+01  0.282121D+01 -0.511299D+01
      4   0.114102D+01  0.554579D-01  0.903758D+00  0.398298D+00 -0.901172D+01
      5   0.348873D+00  0.275621D+01 -0.751366D-01  0.140411D+01  0.366653D+01
      6   0.108425D+02 -0.187123D+01  0.103362D+02  0.702480D+01 -0.387794D+01
               101           102           103           104           105 
      1  -0.189930D+01  0.118960D+01 -0.950111D+00 -0.554123D+01  0.188328D+01
      2  -0.294429D+01  0.235749D+01 -0.359701D+01  0.138372D+02 -0.660062D+01
      3   0.484359D+01 -0.354710D+01  0.454712D+01 -0.829598D+01  0.471734D+01
      4   0.866212D+01 -0.561272D+01  0.771022D+01 -0.913343D+01  0.688629D+01
      5  -0.312715D+01  0.664666D+01 -0.266301D+01  0.434078D+01 -0.358660D+01
      6   0.466927D+01 -0.526634D+01  0.468214D+01 -0.820167D+01  0.951165D+01
               106           107           108           109           110 
      1   0.198226D+01  0.349705D+01 -0.250162D+01 -0.291026D+01 -0.825985D+01
      2   0.248734D+01 -0.981437D+01  0.293408D+01  0.441786D+01  0.123886D+02
      3  -0.446960D+01  0.631732D+01 -0.432457D+00 -0.150760D+01 -0.412876D+01
      4  -0.825971D+01  0.980042D+01 -0.780693D+01  0.926433D+01  0.733075D+01
      5   0.712340D+01 -0.480892D+01  0.939626D+01  0.302546D+01  0.183907D+01
      6  -0.605242D+01  0.112584D+02 -0.156903D+02  0.544995D+01  0.787636D+01
               111           112           113           114           115 
      1  -0.527720D+01 -0.599327D+01 -0.162354D+02 -0.780199D+01 -0.438856D+01
      2   0.398375D+01  0.806697D+01  0.243694D+02  0.767429D+01  0.344506D+01
      3   0.129345D+01 -0.207370D+01 -0.813399D+01  0.127699D+00  0.943507D+00
      4   0.397974D+01  0.682819D+01  0.523325D+01  0.287473D+01  0.397322D+01
      5   0.367709D+01  0.130822D+01  0.154692D+01  0.201795D+00  0.395253D+01
      6   0.619490D+01  0.550187D+01  0.130615D+02  0.106601D+02  0.374724D+01
               116           117           118           119           120 
      1  -0.844101D+01 -0.731821D+01  0.187312D+02  0.333753D+00 -0.742282D+01
      2   0.804519D+01  0.421108D+01 -0.136059D+02 -0.234163D+01  0.966540D+01
      3   0.395824D+00  0.310713D+01 -0.512524D+01  0.200787D+01 -0.224258D+01
      4   0.266335D+01  0.159495D+01 -0.118598D+02  0.620616D+01  0.625574D+01
      5   0.327530D+00  0.116345D+01 -0.158364D+02  0.864862D+00  0.131979D+02
      6   0.119485D+02  0.101344D+02  0.666154D+01 -0.180659D+01 -0.644853D+01
               121           122           123           124           125 
      1   0.265286D+01  0.109156D+01 -0.141540D+01 -0.764207D+01 -0.165722D+01
      2  -0.313218D+01 -0.118288D+01  0.312781D+01  0.985492D+01  0.278160D+01
      3   0.479324D+00  0.913225D-01 -0.171241D+01 -0.221285D+01 -0.112438D+01
      4   0.363945D+01  0.562012D+00 -0.137411D+01  0.687152D+01 -0.265232D+01
      5  -0.164111D+01 -0.223734D+01  0.134101D+01  0.135431D+02 -0.128724D+01
      6  -0.913718D+00  0.286162D+00  0.299636D+01 -0.632087D+01  0.500269D+01
               126           127           128           129           130 
      1   0.203787D+01  0.502263D+01 -0.226443D+01 -0.156487D+00 -0.219121D+01
      2  -0.889598D+01  0.184109D+01 -0.698253D+01 -0.108308D+01 -0.731166D+01
      3   0.685811D+01 -0.686372D+01  0.924696D+01  0.123957D+01  0.950287D+01
      4  -0.608922D+01 -0.106626D+02  0.126650D+02 -0.467795D+00  0.129300D+02
      5  -0.132262D+02  0.487530D+01 -0.396059D+01  0.428943D+01 -0.439241D+01
      6   0.721954D+01 -0.428249D+01  0.600045D+01 -0.138803D+01  0.599913D+01
               131           132           133           134           135 
      1  -0.620817D+01  0.248861D+01 -0.102151D+01  0.679467D+00 -0.471207D+00
      2   0.233522D+02  0.117417D+01 -0.101079D+01  0.377470D+01  0.187222D+01
      3  -0.171441D+02 -0.366278D+01  0.203230D+01 -0.445417D+01 -0.140101D+01
      4  -0.179616D+02  0.449982D+00  0.196162D+01 -0.225692D+01 -0.195959D+01
      5   0.563877D+01 -0.213595D+01  0.263698D+01 -0.112237D+01 -0.979000D+00
      6  -0.133062D+02  0.615934D+01 -0.653953D+00  0.344215D+01  0.521403D+00
               136           137           138           139           140 
      1  -0.241291D+01 -0.344042D+01  0.870267D+01 -0.245227D+01 -0.392753D+01
      2  -0.409872D+01  0.391664D+00  0.514440D+01 -0.221598D+00  0.236775D+01
      3   0.651163D+01  0.304876D+01 -0.138471D+02  0.267387D+01  0.155978D+01
      4   0.645879D+01  0.432295D+01 -0.393307D+01  0.419515D+01  0.103024D+01
      5  -0.127259D+02 -0.279631D+01  0.109250D+02 -0.199226D+01 -0.222490D+01
      6  -0.512832D+01 -0.639016D+01  0.864902D+01 -0.390508D+01 -0.621932D+01
               141           142           143           144           145 
      1   0.478204D+01  0.674685D+01  0.507855D+01 -0.143793D+02  0.101045D+02
      2  -0.127372D+01  0.302268D+01 -0.444779D+00 -0.962817D+01 -0.123427D+02
      3  -0.350832D+01 -0.976953D+01 -0.463377D+01  0.240075D+02  0.223817D+01
      4  -0.228970D+01 -0.335640D+01 -0.201116D+01  0.404209D+01  0.198878D+01
      5   0.306332D+01  0.979767D+01  0.319354D+01 -0.892291D+01  0.164821D+02
      6   0.808021D+01  0.606121D+01  0.783346D+01 -0.113358D+02  0.321134D+01
               146           147           148           149           150 
      1   0.311589D+01  0.309960D+01  0.407760D+01  0.941464D+00 -0.133244D+01
      2  -0.562559D+01 -0.937057D+01 -0.674941D+01 -0.192656D+01 -0.620525D+01
      3   0.250970D+01  0.627097D+01  0.267181D+01  0.985092D+00  0.753769D+01
      4   0.501148D+01  0.575375D+00  0.481959D+01  0.417169D+01  0.218617D+01
      5   0.562909D+01  0.141140D+02  0.841464D+01  0.645759D+01  0.845888D+01
      6   0.545045D+01  0.314049D+01  0.535671D+01  0.796574D+01  0.559916D+01
               151           152           153 
      1   0.226723D+01 -0.354951D+00 -0.274961D+01
      2  -0.824624D+01 -0.411842D+01 -0.113428D+02
      3   0.597901D+01  0.447337D+01  0.140925D+02
      4   0.446909D+00  0.137667D+01  0.193453D+01
      5   0.122374D+02  0.565924D+01  0.121239D+02
      6   0.331463D+01  0.501370D+01  0.357971D+01
 Leave Link  716 at Thu Jan 27 11:56:59 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.655234D+02 -0.432230D-02 -0.253164D-01
      2  -0.432230D-02  0.655226D+02 -0.269344D-01
      3  -0.253164D-01 -0.269344D-01  0.655269D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.106821D-01  0.500768D-01 -0.317132D-01
      2  -0.739310D-01 -0.189180D-01 -0.114628D-01
      3   0.350115D-01 -0.544917D-01  0.101928D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.598799D+00  0.308619D-01  0.233625D+01
      2   0.295021D+01 -0.181890D+01 -0.833962D+00
      3  -0.235141D+01  0.178803D+01 -0.150229D+01
      4  -0.313551D-01  0.289940D+01  0.302745D+01
      5   0.225236D+01  0.305092D+01 -0.243734D+01
      6   0.305264D+01 -0.959068D+00  0.171761D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.999905D+00  0.285271D-01  0.355020D+01  0.209982D-01  0.449243D+01
      2   0.285271D-01  0.448335D+01  0.480645D+01  0.449243D+01 -0.278836D+01
      3   0.355020D+01  0.480645D+01 -0.359146D+01  0.479631D+01 -0.127775D+01
                 6             7             8             9            10 
      1   0.479631D+01  0.356568D+01  0.479094D+01 -0.355328D+01 -0.816954D+00
      2  -0.127775D+01  0.479094D+01 -0.128827D+01  0.270820D+01 -0.411696D-01
      3   0.268097D+01 -0.355328D+01  0.270820D+01 -0.223335D+01 -0.257607D+01
                11            12            13            14            15 
      1  -0.411696D-01 -0.257607D+01  0.184779D+00 -0.435918D+01 -0.382881D+01
      2  -0.360726D+01 -0.382649D+01 -0.435918D+01  0.139919D+01  0.177551D+01
      3  -0.382649D+01  0.298859D+01 -0.382881D+01  0.177551D+01 -0.191670D+01
                16            17            18            19            20 
      1  -0.310917D+01 -0.379686D+01  0.224710D+01  0.225117D+01  0.325912D+00
      2  -0.379686D+01  0.126334D+01 -0.214695D+01  0.325912D+00 -0.357550D+01
      3   0.224710D+01 -0.214695D+01  0.312336D+01 -0.242868D+01 -0.396494D+01
                21            22            23            24            25 
      1  -0.242868D+01 -0.275827D+00 -0.301047D+01 -0.399189D+01 -0.286604D+01
      2  -0.396494D+01 -0.301047D+01  0.358469D+01  0.123446D+01 -0.399727D+01
      3   0.266563D+01 -0.399189D+01  0.123446D+01 -0.200904D+01  0.325808D+01
                26            27            28            29            30 
      1  -0.399727D+01  0.325808D+01  0.196279D+01 -0.808838D+00 -0.289462D+01
      2   0.859027D+00 -0.142673D+01 -0.808838D+00 -0.383402D+01 -0.378625D+01
      3  -0.142673D+01  0.289517D+01 -0.289462D+01 -0.378625D+01  0.282041D+01
                31            32            33            34            35 
      1   0.236009D-01 -0.344238D+01 -0.380365D+01 -0.260925D+01 -0.378170D+01
      2  -0.344238D+01  0.582990D+00  0.977079D+00 -0.378170D+01  0.127965D+01
      3  -0.380365D+01  0.977079D+00 -0.225357D+01  0.325001D+01 -0.310058D+01
                36            37            38            39            40 
      1   0.325001D+01 -0.365915D+00  0.470684D+00 -0.357081D+01  0.616300D-01
      2  -0.310058D+01  0.470684D+00 -0.335830D+01 -0.385095D+01 -0.372340D+01
      3   0.843381D+00 -0.357081D+01 -0.385095D+01  0.306922D+01 -0.386464D+01
                41            42            43            44            45 
      1  -0.372340D+01 -0.386464D+01 -0.275798D+01 -0.385669D+01  0.267928D+01
      2   0.325986D+01  0.160642D+00 -0.385669D+01  0.101754D+01 -0.201756D+01
      3   0.160642D+00 -0.236115D+01  0.267928D+01 -0.201756D+01  0.111136D+00
                46            47            48            49            50 
      1  -0.785103D+00  0.507767D+00 -0.747345D+00  0.661211D+00  0.255065D+00
      2   0.507767D+00 -0.440541D+00  0.942125D+00  0.255065D+00  0.194815D+01
      3  -0.747345D+00  0.942125D+00 -0.201388D+01  0.361944D+00 -0.216996D+01
                51            52            53            54            55 
      1   0.361944D+00 -0.994922D+00  0.413614D+00 -0.379056D+00  0.341027D+01
      2  -0.216996D+01  0.413614D+00 -0.202593D+01  0.255945D+01 -0.194514D+01
      3   0.268125D+01 -0.379056D+00  0.255945D+01 -0.721592D+01 -0.107331D+01
                56            57            58            59            60 
      1  -0.194514D+01 -0.107331D+01 -0.308675D+01  0.278988D+01  0.170646D+01
      2   0.210301D+01  0.105887D+01  0.278988D+01 -0.454690D+01 -0.168888D+01
      3   0.105887D+01  0.842102D+00  0.170646D+01 -0.168888D+01 -0.182846D+01
                61            62            63            64            65 
      1  -0.711359D+00  0.101308D+01  0.996622D+00  0.519948D+01  0.247291D+01
      2   0.101308D+01 -0.113827D+01 -0.103010D+01  0.247291D+01  0.239948D+01
      3   0.996622D+00 -0.103010D+01 -0.180417D+01  0.879477D+00  0.708828D+00
                66            67            68            69            70 
      1   0.879477D+00  0.294630D+01  0.287772D+01  0.643034D+00  0.223170D+01
      2   0.708828D+00  0.287772D+01  0.324364D+01  0.399423D+00  0.127166D+01
      3   0.781100D+00  0.643034D+00  0.399423D+00  0.116719D+01  0.839335D+00
                71            72            73            74            75 
      1   0.127166D+01  0.839335D+00 -0.248163D+01  0.335107D+00 -0.177753D+01
      2   0.113943D+01  0.103499D+01  0.335107D+00 -0.252129D+00  0.655607D+00
      3   0.103499D+01  0.962591D+00 -0.177753D+01  0.655607D+00 -0.226857D+01
                76            77            78            79            80 
      1   0.121549D+01 -0.363644D+00  0.126064D+01 -0.211861D+01  0.581983D+00
      2  -0.363644D+00  0.870821D+00 -0.126317D+01  0.581983D+00 -0.141038D+01
      3   0.126064D+01 -0.126317D+01  0.213100D+01 -0.292089D+01  0.879221D+00
                81            82            83            84            85 
      1  -0.292089D+01 -0.626141D+01 -0.194022D+01  0.193557D+01 -0.126250D+01
      2   0.879221D+00 -0.194022D+01 -0.136157D+01  0.845714D+00 -0.119680D+01
      3  -0.650603D+01  0.193557D+01  0.845714D+00 -0.185680D+01  0.810224D+00
                86            87            88            89            90 
      1  -0.119680D+01  0.810224D+00  0.327548D+01  0.144416D+01 -0.209192D+01
      2  -0.165637D+01  0.541076D+00  0.144416D+01  0.129142D+01 -0.620369D+00
      3   0.541076D+00 -0.316407D+00 -0.209192D+01 -0.620369D+00  0.199042D+01
                91            92            93            94            95 
      1   0.110701D+01 -0.132582D+01 -0.235906D+00 -0.137168D+01  0.116675D+01
      2  -0.132582D+01  0.273531D+01  0.110201D+01  0.116675D+01 -0.758158D+01
      3  -0.235906D+00  0.110201D+01  0.700681D+00  0.554782D+00 -0.216528D+01
                96            97            98            99           100 
      1   0.554782D+00 -0.152467D+00  0.597383D+00  0.388658D-01 -0.215995D+01
      2  -0.216528D+01  0.597383D+00 -0.173228D+01 -0.148172D+01  0.148390D+01
      3  -0.154211D+01  0.388658D-01 -0.148172D+01 -0.160023D+01 -0.107536D+01
               101           102           103           104           105 
      1   0.148390D+01 -0.107536D+01  0.109757D+01 -0.107000D+01  0.107713D+01
      2  -0.105405D+01  0.115033D+01 -0.107000D+01  0.320241D+01 -0.187710D+01
      3   0.115033D+01 -0.152641D+01  0.107713D+01 -0.187710D+01  0.178619D+01
               106           107           108           109           110 
      1  -0.179018D+01  0.173628D+01 -0.189869D+01  0.220471D+01  0.177408D+01
      2   0.173628D+01 -0.322134D+01  0.251155D+01  0.177408D+01  0.332550D+01
      3  -0.189869D+01  0.251155D+01 -0.416242D+01  0.130759D+01  0.150068D+01
               111           112           113           114           115 
      1   0.130759D+01  0.138439D+01  0.183207D+01  0.967834D+00  0.120187D+01
      2   0.150068D+01  0.183207D+01  0.505769D+01  0.185904D+01  0.982322D+00
      3   0.123421D+01  0.967834D+00  0.185904D+01  0.174248D+01  0.630112D+00
               116           117           118           119           120 
      1   0.982322D+00  0.630112D+00 -0.560167D+01  0.599200D+00  0.297903D+01
      2   0.212658D+01  0.214364D+01  0.599200D+00 -0.917562D+00  0.264245D-01
      3   0.214364D+01  0.213517D+01  0.297903D+01  0.264245D-01 -0.271581D+01
               121           122           123           124           125 
      1  -0.716252D+00 -0.488282D+00  0.644196D+00  0.313559D+01 -0.462958D-01
      2  -0.488282D+00 -0.314756D+00  0.548164D+00 -0.462958D-01  0.945361D+00
      3   0.644196D+00  0.548164D+00 -0.325975D+00 -0.285110D+01  0.616176D+00
               126           127           128           129           130 
      1  -0.285110D+01  0.256910D+01 -0.225888D+01  0.495896D+00 -0.230676D+01
      2   0.616176D+00 -0.225888D+01  0.283892D+01  0.141312D+00  0.300639D+01
      3   0.343230D+01  0.495896D+00  0.141312D+00  0.484232D+00  0.112325D+00
               131           132           133           134           135 
      1   0.300639D+01  0.112325D+00 -0.342550D+00  0.735316D+00  0.270696D+00
      2  -0.680723D+01  0.370731D+00  0.735316D+00 -0.110100D+01 -0.688843D+00
      3   0.370731D+00 -0.115511D+01  0.270696D+00 -0.688843D+00 -0.419353D+00
               136           137           138           139           140 
      1  -0.323560D+01 -0.940502D+00  0.258538D+01 -0.646264D+00 -0.529365D+00
      2  -0.940502D+00 -0.114105D+01  0.142535D+01 -0.529365D+00 -0.141685D+01
      3   0.258538D+01  0.142535D+01 -0.380586D+01  0.885086D+00  0.126401D+01
               141           142           143           144           145 
      1   0.885086D+00  0.204659D+01  0.910662D+00 -0.230573D+01  0.400360D+01
      2   0.126401D+01  0.910662D+00  0.109728D+01 -0.121152D+01  0.126248D+01
      3  -0.926155D+00 -0.230573D+01 -0.121152D+01  0.510539D+01  0.264649D+01
               146           147           148           149           150 
      1   0.126248D+01  0.264649D+01  0.207007D+01  0.176321D+01  0.166904D+01
      2   0.165641D+01  0.106491D+01  0.176321D+01  0.196261D+01  0.131201D+01
      3   0.106491D+01  0.219262D+01  0.166904D+01  0.131201D+01  0.244560D+01
               151           152           153 
      1   0.199560D+01  0.100141D+01  0.179056D+01
      2   0.100141D+01  0.897851D+00  0.127116D+01
      3   0.179056D+01  0.127116D+01  0.334256D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.479350D-02  0.238347D-01 -0.197400D-01  0.165309D-01 -0.350121D-02
      2   0.132499D-01  0.163845D-01  0.497557D+01 -0.132559D-01 -0.288643D-01
      3   0.137094D-01 -0.499576D+01 -0.190966D-02  0.498476D+01 -0.393805D-02
                 6             7             8             9            10 
      1  -0.498480D+01  0.386532D-02  0.495947D+01 -0.494089D-01  0.101396D+01
      2   0.202306D-01 -0.497802D+01 -0.911976D-02  0.255427D-01 -0.644590D+01
      3   0.196989D-01  0.172502D-01  0.106078D-01  0.123572D-01 -0.914368D+00
                11            12            13            14            15 
      1   0.623209D+01  0.341627D+01  0.784424D+01 -0.174622D+01 -0.429311D+01
      2  -0.569146D+01  0.355890D+01 -0.526993D+01 -0.254571D+01 -0.722538D+01
      3   0.362927D+01  0.467736D+01  0.969977D+01 -0.294871D+01 -0.531259D+01
                16            17            18            19            20 
      1   0.399251D+01  0.911265D+00  0.730930D+00 -0.306365D+01 -0.187686D+01
      2  -0.352450D+01 -0.781850D+01  0.883230D+01  0.600815D+01  0.585853D+01
      3   0.423551D+01 -0.382102D+01  0.382501D+01 -0.378521D+01 -0.715520D+01
                21            22            23            24            25 
      1   0.685250D+01 -0.291620D+01 -0.274198D+01 -0.529731D+01  0.827371D+01
      2  -0.321018D+01  0.485984D+01 -0.399454D+01 -0.146002D+01 -0.920081D+01
      3  -0.278905D+01 -0.621045D+00  0.934394D+01  0.690452D+01 -0.179699D+01
                26            27            28            29            30 
      1   0.440790D+00  0.565754D+01  0.411914D+01  0.428400D+01 -0.669705D+01
      2  -0.286408D+01 -0.190471D+01  0.112201D+01  0.433481D+01  0.690752D+00
      3   0.591889D+01 -0.541768D+01  0.401586D+01 -0.829804D+01 -0.845126D+01
                31            32            33            34            35 
      1   0.468440D+01 -0.216909D+01  0.274501D+01 -0.798536D+01  0.938269D+01
      2   0.355536D+01  0.704656D+00  0.422902D+01 -0.413213D+01  0.557876D+01
      3  -0.117145D+01 -0.651983D+01 -0.539579D+01 -0.763276D+01 -0.491219D+01
                36            37            38            39            40 
      1  -0.178370D+01 -0.219586D+01 -0.849533D+01 -0.358929D+01 -0.971048D+01
      2  -0.175983D+01 -0.596520D+00 -0.434061D+01  0.112607D+02 -0.310611D+01
      3   0.238504D+01  0.660591D+00 -0.541587D+00  0.652622D+01  0.451632D+01
                41            42            43            44            45 
      1   0.656824D+01 -0.535078D+01 -0.412092D+01  0.155508D+01 -0.448050D+01
      2   0.575054D+01  0.447482D+01  0.444739D+01  0.493155D+01 -0.528686D+01
      3   0.211684D+00  0.397525D+01  0.525802D+01  0.279007D+01 -0.797157D+00
                46            47            48            49            50 
      1  -0.309704D+00  0.744539D+00  0.384897D-01 -0.414724D+00 -0.221885D+01
      2  -0.276588D+01  0.176432D+01 -0.241162D+01  0.255673D+01 -0.247470D+01
      3  -0.142298D+01 -0.808996D-01 -0.145317D+01  0.138576D+01 -0.208596D+01
                51            52            53            54            55 
      1   0.119034D+00 -0.455338D+00  0.387430D+01  0.691616D+00  0.260108D+01
      2   0.418166D+01 -0.490876D+01  0.423941D+01 -0.982868D+01  0.264023D+01
      3   0.287608D+01 -0.217044D+01  0.275118D+01 -0.379042D+01  0.276654D+01
                56            57            58            59            60 
      1  -0.362834D+01 -0.734862D+00 -0.350167D+01  0.675570D+01  0.136921D+00
      2  -0.720693D+00  0.146751D+01 -0.179287D+01  0.924486D+00 -0.171728D+01
      3  -0.550206D+01 -0.186840D+01 -0.252866D+01  0.879035D+01  0.258413D+01
                61            62            63            64            65 
      1  -0.155843D+01  0.282756D+01  0.105375D+01 -0.317587D+01 -0.279358D+01
      2  -0.648650D+00 -0.538463D-01 -0.161698D+01  0.630508D+01  0.402504D+01
      3  -0.143964D+01  0.264496D+01  0.162155D+01 -0.384496D+00 -0.443399D+01
                66            67            68            69            70 
      1  -0.237150D+01 -0.325172D+01 -0.316266D+01 -0.290218D+01 -0.161833D+01
      2   0.443997D+01  0.392547D+01  0.380554D+01  0.393970D+01  0.222633D+01
      3  -0.856912D+00 -0.107188D+01 -0.431494D+01 -0.541967D+00 -0.195101D+00
                71            72            73            74            75 
      1  -0.745637D+00 -0.225565D+01 -0.210286D+01  0.195151D+01 -0.320897D+01
      2   0.280508D+01  0.320306D+01 -0.866814D+00 -0.683615D+00  0.265979D+01
      3  -0.182062D+01 -0.118810D+01  0.252363D+01 -0.202658D+01  0.277090D+01
                76            77            78            79            80 
      1   0.142290D+01 -0.301899D+01  0.238809D+01 -0.360029D+01  0.524248D+01
      2   0.393055D+00  0.127440D+01 -0.188876D+01 -0.832140D+00 -0.865256D+00
      3  -0.487837D+00  0.196406D+01 -0.269413D+01  0.254006D+01 -0.365430D+01
                81            82            83            84            85 
      1  -0.740580D+01  0.385002D+01  0.114299D+01 -0.378848D+01  0.183283D+01
      2   0.599771D+01 -0.634123D+01 -0.241751D+01  0.667085D+01 -0.200454D+01
      3   0.447159D+01  0.515667D+01 -0.178395D+01 -0.142778D+01  0.125317D+01
                86            87            88            89            90 
      1   0.134914D+01 -0.180319D+01 -0.329501D+01 -0.563598D-01  0.333346D+01
      2  -0.137784D+01  0.167806D+01  0.361890D+01  0.154470D+01 -0.542821D+01
      3  -0.111974D+01 -0.459828D+00 -0.240258D+01  0.112510D+01  0.176095D+01
                91            92            93            94            95 
      1   0.931016D+00 -0.131276D+01  0.806196D+00 -0.510319D+00  0.437449D+01
      2   0.162742D+01 -0.220743D+01  0.178038D+00 -0.278857D+01  0.361661D+01
      3  -0.392776D+01  0.348369D+01  0.127762D+01  0.633543D+01 -0.947251D+01
                96            97            98            99           100 
      1  -0.259034D+01 -0.574773D+00  0.952971D+00 -0.118371D+01  0.213966D+01
      2   0.165527D+01 -0.122470D+01  0.203825D+01  0.139151D+01  0.963132D+00
      3  -0.310039D+01  0.160298D+01 -0.279992D+01 -0.147343D+01 -0.240899D+01
               101           102           103           104           105 
      1  -0.180651D+01  0.385957D+01 -0.229632D+01  0.322593D+01 -0.545092D+01
      2  -0.157559D+01  0.315946D+01 -0.766508D+00  0.210805D+01 -0.283107D+01
      3   0.195025D-01 -0.553211D+00  0.224456D+01  0.148930D+01  0.201139D+00
               106           107           108           109           110 
      1   0.350014D+01 -0.278133D+01  0.896355D+01 -0.131259D+01 -0.585287D-01
      2   0.319452D+00 -0.265055D+01  0.542618D+01 -0.296081D+01 -0.199168D+01
      3  -0.230417D+01 -0.888469D+00 -0.844011D+00  0.632112D+01  0.366430D+01
               111           112           113           114           115 
      1  -0.225820D+01 -0.832326D+00  0.181251D+00 -0.378969D+01 -0.580737D+00
      2  -0.288831D+00 -0.246280D+01 -0.244845D+01 -0.128702D+01 -0.252441D+01
      3   0.330157D+01  0.609092D+01  0.605266D+01  0.327210D+01  0.399748D+01
               116           117           118           119           120 
      1  -0.864675D+00 -0.297160D+01 -0.442124D+01 -0.198784D+01  0.447051D+01
      2  -0.199678D+01 -0.127797D+01  0.112584D+01 -0.396461D+00  0.321646D+01
      3   0.287895D+01  0.259725D+01 -0.784191D+01 -0.267266D+01  0.480840D+01
               121           122           123           124           125 
      1  -0.105590D+01 -0.124916D+01 -0.615664D-01  0.430084D+01  0.164923D+01
      2   0.120470D-01 -0.262015D+00  0.226112D+00 -0.670839D+00 -0.466517D+00
      3  -0.536860D+00 -0.136866D+01  0.132006D+01  0.507037D+01  0.234790D+01
               126           127           128           129           130 
      1  -0.468118D+01 -0.279679D+01  0.467456D+01  0.190970D+01  0.470674D+01
      2  -0.274466D+01 -0.307547D+01  0.336566D+01  0.121121D+01  0.357411D+01
      3  -0.384895D+01 -0.157427D+01 -0.146574D+01 -0.590001D+00  0.236108D+01
               131           132           133           134           135 
      1  -0.969489D+01 -0.364382D+01  0.111250D+01 -0.122701D+01 -0.181101D+01
      2  -0.444652D+01 -0.233184D+01 -0.205483D+00 -0.136963D+01 -0.971736D+00
      3   0.303909D+01 -0.269497D+00  0.127896D+00  0.358376D+00  0.252952D+00
               136           137           138           139           140 
      1   0.719572D+00 -0.182833D+01 -0.135107D+01  0.928858D-01 -0.144619D+01
      2   0.817569D+01  0.206667D+01 -0.419926D+01  0.218534D+01  0.131108D+01
      3   0.385434D+01 -0.427490D+00 -0.278427D+01  0.181481D+01  0.737413D+00
               141           142           143           144           145 
      1  -0.499546D-01 -0.480293D+00  0.259192D+01  0.259252D+01  0.400891D+01
      2  -0.179446D+01 -0.709551D+01 -0.216814D+01  0.556385D+01 -0.494421D+01
      3  -0.140120D+01 -0.300019D+01 -0.505130D+00  0.265849D+01 -0.304565D+01
               146           147           148           149           150 
      1   0.473456D+01  0.266591D+01  0.390520D+01  0.501197D+01  0.205809D+01
      2  -0.142156D+01 -0.608812D+00 -0.285738D+01 -0.191673D+01  0.130953D+00
      3  -0.418026D+01 -0.256846D+01 -0.150289D+01 -0.380171D+01 -0.199384D+01
               151           152           153 
      1   0.307907D+01  0.405470D+01  0.358154D+01
      2  -0.343207D+01 -0.867831D+00  0.395734D+00
      3  -0.190770D+01 -0.242438D+01 -0.222544D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.355476D+01 -0.276119D+01  0.254310D+01 -0.275814D+01 -0.145536D+01
      2  -0.136870D+01  0.294387D+01 -0.114401D+01  0.296176D+01  0.104017D+01
      3  -0.218605D+01 -0.182676D+00 -0.139909D+01 -0.203622D+00  0.415192D+00
      4  -0.273496D+01 -0.256527D+01 -0.713083D+00 -0.255791D+01  0.293795D+01
      5   0.248325D+01 -0.714973D+00 -0.341201D+01 -0.752820D+00 -0.112593D+01
      6  -0.727118D+00 -0.118181D+01 -0.169662D+00 -0.114944D+01 -0.343811D+01
                 6             7             8             9            10 
      1  -0.731357D+00  0.250179D+01 -0.776770D+00 -0.223160D+01 -0.586260D+01
      2  -0.340892D+01 -0.115526D+01 -0.340771D+01  0.383198D+00 -0.354899D+01
      3   0.414028D+01 -0.134653D+01  0.418448D+01  0.184841D+01  0.941159D+01
      4  -0.115735D+01 -0.743149D+00 -0.119868D+01 -0.185345D+00 -0.141467D+01
      5  -0.259653D+00 -0.334765D+01 -0.205402D+00 -0.137243D+01 -0.567847D+01
      6  -0.710594D+00 -0.186500D+00 -0.732037D+00  0.425312D+01 -0.406448D+01
                11            12            13            14            15 
      1  -0.444587D+01 -0.154566D+01 -0.417896D+01 -0.822154D+01 -0.140208D+02
      2  -0.609580D+01  0.361208D+01 -0.542736D+01  0.483376D+01  0.172610D+01
      3   0.105417D+02 -0.206642D+01  0.960633D+01  0.338777D+01  0.122947D+02
      4  -0.123023D+02 -0.983975D+01 -0.138499D+02  0.235993D+01  0.180139D+01
      5  -0.852039D+01  0.612878D+01 -0.958700D+01  0.685050D+01  0.312424D+01
      6   0.392594D+01  0.885288D+01  0.500305D+01 -0.385376D+01 -0.709983D+01
                16            17            18            19            20 
      1  -0.284020D+01 -0.142544D+02  0.136698D+02 -0.858305D+01 -0.937014D+01
      2   0.297458D+01  0.217617D+01 -0.127535D+01  0.244711D+01  0.669495D+01
      3  -0.134375D+00  0.120782D+02 -0.123944D+02  0.613595D+01  0.267520D+01
      4  -0.109933D+02  0.433967D+00 -0.111426D+01 -0.401649D+01  0.136156D+01
      5   0.604869D+01  0.225815D+01 -0.117224D+01  0.505206D+01  0.691684D+01
      6   0.701768D+01 -0.693957D+01  0.784208D+01  0.625330D+01  0.108813D+02
                21            22            23            24            25 
      1   0.510680D+01 -0.868884D+01  0.138934D+02  0.914413D+01  0.630006D+01
      2   0.878813D+01  0.474404D+01 -0.142484D+02 -0.112440D+02  0.788520D+01
      3  -0.138949D+02  0.394480D+01  0.354955D+00  0.209990D+01 -0.141853D+02
      4   0.106778D+02  0.238102D+01  0.330909D+01  0.461985D+01  0.119192D+02
      5  -0.607717D+01  0.745198D+01  0.392791D+01  0.828788D+01 -0.742912D+01
      6   0.224369D+00  0.957144D+01 -0.747076D+01 -0.165494D+01 -0.116242D+00
                26            27            28            29            30 
      1   0.989952D+01 -0.536742D+01 -0.317715D+01  0.723969D+01  0.109163D+02
      2  -0.108663D+02  0.115031D+02  0.478032D+01 -0.931599D+01 -0.167100D+02
      3   0.966787D+00 -0.613567D+01 -0.160317D+01  0.207630D+01  0.579373D+01
      4   0.501671D+01  0.368541D+00  0.215915D+01 -0.104852D+01 -0.225066D+01
      5   0.665189D+01 -0.908293D+01  0.648335D+01  0.287287D+01 -0.104683D+02
      6  -0.110921D+01  0.103305D+01 -0.550904D+01 -0.131903D+02  0.433363D+01
                31            32            33            34            35 
      1   0.650885D+01  0.547958D+01  0.594456D+01  0.111195D+02  0.486036D+01
      2  -0.810533D+01 -0.260136D+01 -0.691073D+00 -0.164681D+02 -0.297368D-01
      3   0.159648D+01 -0.287823D+01 -0.525349D+01  0.534858D+01 -0.483062D+01
      4   0.198328D+00 -0.103077D+02 -0.111474D+02 -0.127309D+01 -0.121674D+02
      5   0.480247D+01 -0.655846D+01  0.591743D+00 -0.107099D+02  0.240729D+01
      6  -0.120508D+02  0.205416D+01 -0.846579D+01  0.532404D+01 -0.986889D+01
                36            37            38            39            40 
      1  -0.198367D+01  0.275834D+01  0.182363D+01 -0.103874D+02  0.175790D+01
      2  -0.266221D+01  0.409697D+01  0.136200D+02  0.247197D+01  0.135873D+02
      3   0.464587D+01 -0.685531D+01 -0.154436D+02  0.791545D+01 -0.153452D+02
      4   0.826677D+01 -0.135749D+01 -0.776877D+01  0.114689D+00 -0.830099D+01
      5   0.148708D+00 -0.208947D+01 -0.260531D+01 -0.103654D+02 -0.390652D+01
      6   0.286880D+01  0.181680D+01 -0.348682D+01 -0.134211D+02 -0.428205D+01
                41            42            43            44            45 
      1  -0.303677D+01 -0.235378D+01 -0.105371D+02 -0.164482D+01  0.541312D+00
      2  -0.722560D+01  0.416625D+01  0.393789D+01  0.274833D+01  0.342656D+01
      3   0.102624D+02 -0.181247D+01  0.659924D+01 -0.110351D+01 -0.396787D+01
      4   0.932006D+01  0.292489D+01 -0.726091D+00  0.509455D+01 -0.784989D+01
      5  -0.616329D+01 -0.121925D+02 -0.855836D+01 -0.113021D+02  0.775447D+01
      6   0.327671D+01  0.546332D+00 -0.123322D+02  0.117097D+01 -0.479604D+01
                46            47            48            49            50 
      1  -0.223300D+01  0.332471D+01 -0.571046D+01  0.264590D+01 -0.630696D+01
      2  -0.394848D+00 -0.981218D+00 -0.138355D+01 -0.743666D+00  0.240345D+01
      3   0.262785D+01 -0.234350D+01  0.709401D+01 -0.190224D+01  0.390352D+01
      4  -0.654639D+00  0.234617D+01 -0.299329D+00  0.358481D+01  0.245063D+01
      5   0.284810D+01 -0.867429D+00  0.320930D+01 -0.161818D+01 -0.284164D+01
      6  -0.218002D+01  0.271099D+01 -0.372645D+01  0.246899D+00 -0.911774D+01
                51            52            53            54            55 
      1   0.941348D+01 -0.399940D+01  0.923735D+01 -0.204223D+02  0.133855D+02
      2  -0.144297D+00  0.978968D+00 -0.156632D+00 -0.104529D+02 -0.762968D+01
      3  -0.926919D+01  0.302043D+01 -0.908072D+01  0.308752D+02 -0.575579D+01
      4  -0.303355D+01 -0.752223D+00 -0.323000D+01  0.366889D+01 -0.846485D+01
      5   0.347149D+01  0.539253D+01  0.303998D+01 -0.919298D+01 -0.991456D+01
      6   0.118627D+02 -0.138848D+01  0.114887D+02 -0.157168D+02  0.511996D+01
                56            57            58            59            60 
      1  -0.609774D+01 -0.318409D+01 -0.843040D+01  0.313726D+01  0.150351D+01
      2   0.447009D+01  0.392577D+01  0.570832D+01  0.665716D+00 -0.380352D+01
      3   0.162765D+01 -0.741681D+00  0.272208D+01 -0.380297D+01  0.230001D+01
      4   0.104051D+02  0.414446D+01  0.120258D+02 -0.157897D+02 -0.497847D+01
      5   0.692342D+01  0.695255D+01  0.985154D+01 -0.773866D+01 -0.851741D+01
      6  -0.522986D+01 -0.358052D+01 -0.635874D+01  0.121770D+02  0.735888D+01
                61            62            63            64            65 
      1  -0.177994D+01  0.153944D+01 -0.104883D+01  0.229671D+02  0.930895D+01
      2   0.362128D+01 -0.280803D+01 -0.391904D+01 -0.628082D+01  0.808270D+00
      3  -0.184134D+01  0.126859D+01  0.496788D+01 -0.166863D+02 -0.101172D+02
      4   0.376566D+01 -0.361757D+01 -0.385109D+01  0.153726D+02  0.133906D+02
      5   0.680642D+01 -0.571836D+01 -0.690408D+01 -0.184222D+01 -0.162775D+00
      6  -0.388517D+01  0.638750D+01  0.345332D+01 -0.166554D+01 -0.262386D+01
                66            67            68            69            70 
      1   0.397851D+01  0.101224D+02  0.522700D+01  0.287181D+01  0.766445D+01
      2  -0.293043D+00  0.961059D+00  0.593074D+01  0.171892D+01 -0.191610D+01
      3  -0.368546D+01 -0.110835D+02 -0.111577D+02 -0.459073D+01 -0.574835D+01
      4   0.334476D+01  0.148856D+02  0.143266D+02  0.229778D+01  0.573779D+01
      5   0.441958D+01 -0.807578D+00 -0.103959D+01  0.355444D+01  0.357553D+01
      6   0.551468D+00 -0.277695D+01 -0.207418D+01  0.328108D+01  0.649304D+00
                71            72            73            74            75 
      1   0.322382D+01  0.172202D+01  0.756722D+01 -0.526675D+00  0.366383D+01
      2   0.212895D+01 -0.372484D-01 -0.855842D+01  0.152346D+01 -0.895985D+01
      3  -0.535277D+01 -0.168477D+01  0.991206D+00 -0.996789D+00  0.529603D+01
      4   0.491855D+01  0.389077D+01  0.137113D+01  0.273687D+01 -0.426413D+00
      5   0.273299D+01  0.450298D+01  0.103566D+02 -0.278383D+01  0.128890D+02
      6   0.237420D+01  0.101861D+01  0.461674D+00  0.360207D+00  0.197381D+01
                76            77            78            79            80 
      1  -0.236632D+01 -0.137987D+01 -0.660743D+00  0.360758D+01 -0.154380D+01
      2   0.319637D+01 -0.133208D+01  0.689732D+01 -0.100165D+02  0.556063D+01
      3  -0.830048D+00  0.271195D+01 -0.623658D+01  0.640892D+01 -0.401682D+01
      4   0.212618D+01 -0.368844D+01  0.284346D+01  0.227191D+00  0.363791D+01
      5  -0.536942D+01  0.343308D+01 -0.637145D+01  0.143345D+02 -0.323976D+01
      6   0.592892D+00 -0.233961D+01  0.359635D+01  0.231563D+01  0.485945D+01
                81            82            83            84            85 
      1  -0.323958D+01  0.261683D+02  0.590140D+01 -0.783593D+01  0.417857D+01
      2  -0.190995D+02 -0.807845D+01  0.120734D+01  0.918675D+00  0.187889D+01
      3   0.223391D+02 -0.180899D+02 -0.710874D+01  0.691726D+01 -0.605746D+01
      4  -0.435592D-01  0.173453D+02  0.105133D+02 -0.584402D+01  0.937056D+01
      5   0.211968D+02 -0.406413D+01 -0.138023D+01  0.732333D+01 -0.135683D+01
      6   0.445959D+01 -0.397817D+01 -0.206584D+01  0.434382D+01 -0.240679D+01
                86            87            88            89            90 
      1   0.117267D+01 -0.174813D+01 -0.110108D+02 -0.198772D+01  0.528644D+01
      2   0.438658D+01 -0.302070D+00  0.222136D+01 -0.157046D+01 -0.310907D+01
      3  -0.555925D+01  0.205020D+01  0.878943D+01  0.355819D+01 -0.217737D+01
      4   0.688387D+01 -0.407026D+01 -0.885462D+01 -0.671180D+01  0.473505D+01
      5  -0.189125D+01  0.619877D+00  0.736348D+01  0.148431D+01 -0.686320D+01
      6  -0.570275D+00  0.296347D+01  0.437300D+01  0.305637D+01 -0.589649D+01
                91            92            93            94            95 
      1  -0.241474D+01  0.801182D+01  0.228590D+01  0.606829D+01 -0.223119D+02
      2   0.422736D+01 -0.975832D+01 -0.190664D+01 -0.582222D+01  0.326933D+02
      3  -0.181263D+01  0.174650D+01 -0.379266D+00 -0.246072D+00 -0.103814D+02
      4  -0.378713D+01  0.425542D+01  0.267338D+00  0.553730D+01  0.429124D+01
      5  -0.314684D+01  0.184590D+01  0.207715D+01  0.225829D+01 -0.374484D+00
      6   0.243858D+01 -0.589972D+01 -0.426377D+01 -0.313586D+01  0.177435D+02
                96            97            98            99           100 
      1  -0.794883D+01  0.104679D+01 -0.733691D+01 -0.522867D+01  0.469872D+01
      2   0.715275D+01 -0.159945D+01  0.601884D+01  0.240745D+01  0.414267D+00
      3   0.796072D+00  0.552660D+00  0.131807D+01  0.282121D+01 -0.511299D+01
      4   0.114102D+01  0.554579D-01  0.903758D+00  0.398298D+00 -0.901172D+01
      5   0.348873D+00  0.275621D+01 -0.751366D-01  0.140411D+01  0.366653D+01
      6   0.108425D+02 -0.187123D+01  0.103362D+02  0.702480D+01 -0.387794D+01
               101           102           103           104           105 
      1  -0.189930D+01  0.118960D+01 -0.950111D+00 -0.554123D+01  0.188328D+01
      2  -0.294429D+01  0.235749D+01 -0.359701D+01  0.138372D+02 -0.660062D+01
      3   0.484359D+01 -0.354710D+01  0.454712D+01 -0.829598D+01  0.471734D+01
      4   0.866212D+01 -0.561272D+01  0.771022D+01 -0.913343D+01  0.688629D+01
      5  -0.312715D+01  0.664666D+01 -0.266301D+01  0.434078D+01 -0.358660D+01
      6   0.466927D+01 -0.526634D+01  0.468214D+01 -0.820167D+01  0.951165D+01
               106           107           108           109           110 
      1   0.198226D+01  0.349705D+01 -0.250162D+01 -0.291026D+01 -0.825985D+01
      2   0.248734D+01 -0.981437D+01  0.293408D+01  0.441786D+01  0.123886D+02
      3  -0.446960D+01  0.631732D+01 -0.432457D+00 -0.150760D+01 -0.412876D+01
      4  -0.825971D+01  0.980042D+01 -0.780693D+01  0.926433D+01  0.733075D+01
      5   0.712340D+01 -0.480892D+01  0.939626D+01  0.302546D+01  0.183907D+01
      6  -0.605242D+01  0.112584D+02 -0.156903D+02  0.544995D+01  0.787636D+01
               111           112           113           114           115 
      1  -0.527720D+01 -0.599327D+01 -0.162354D+02 -0.780199D+01 -0.438856D+01
      2   0.398375D+01  0.806697D+01  0.243694D+02  0.767429D+01  0.344506D+01
      3   0.129345D+01 -0.207370D+01 -0.813399D+01  0.127699D+00  0.943507D+00
      4   0.397974D+01  0.682819D+01  0.523325D+01  0.287473D+01  0.397322D+01
      5   0.367709D+01  0.130822D+01  0.154692D+01  0.201795D+00  0.395253D+01
      6   0.619490D+01  0.550187D+01  0.130615D+02  0.106601D+02  0.374724D+01
               116           117           118           119           120 
      1  -0.844101D+01 -0.731821D+01  0.187312D+02  0.333753D+00 -0.742282D+01
      2   0.804519D+01  0.421108D+01 -0.136059D+02 -0.234163D+01  0.966540D+01
      3   0.395824D+00  0.310713D+01 -0.512524D+01  0.200787D+01 -0.224258D+01
      4   0.266335D+01  0.159495D+01 -0.118598D+02  0.620616D+01  0.625574D+01
      5   0.327530D+00  0.116345D+01 -0.158364D+02  0.864862D+00  0.131979D+02
      6   0.119485D+02  0.101344D+02  0.666154D+01 -0.180659D+01 -0.644853D+01
               121           122           123           124           125 
      1   0.265286D+01  0.109156D+01 -0.141540D+01 -0.764207D+01 -0.165722D+01
      2  -0.313218D+01 -0.118288D+01  0.312781D+01  0.985492D+01  0.278160D+01
      3   0.479324D+00  0.913225D-01 -0.171241D+01 -0.221285D+01 -0.112438D+01
      4   0.363945D+01  0.562012D+00 -0.137411D+01  0.687152D+01 -0.265232D+01
      5  -0.164111D+01 -0.223734D+01  0.134101D+01  0.135431D+02 -0.128724D+01
      6  -0.913718D+00  0.286162D+00  0.299636D+01 -0.632087D+01  0.500269D+01
               126           127           128           129           130 
      1   0.203787D+01  0.502263D+01 -0.226443D+01 -0.156487D+00 -0.219121D+01
      2  -0.889598D+01  0.184109D+01 -0.698253D+01 -0.108308D+01 -0.731166D+01
      3   0.685811D+01 -0.686372D+01  0.924696D+01  0.123957D+01  0.950287D+01
      4  -0.608922D+01 -0.106626D+02  0.126650D+02 -0.467795D+00  0.129300D+02
      5  -0.132262D+02  0.487530D+01 -0.396059D+01  0.428943D+01 -0.439241D+01
      6   0.721954D+01 -0.428249D+01  0.600045D+01 -0.138803D+01  0.599913D+01
               131           132           133           134           135 
      1  -0.620817D+01  0.248861D+01 -0.102151D+01  0.679467D+00 -0.471207D+00
      2   0.233522D+02  0.117417D+01 -0.101079D+01  0.377470D+01  0.187222D+01
      3  -0.171441D+02 -0.366278D+01  0.203230D+01 -0.445417D+01 -0.140101D+01
      4  -0.179616D+02  0.449982D+00  0.196162D+01 -0.225692D+01 -0.195959D+01
      5   0.563877D+01 -0.213595D+01  0.263698D+01 -0.112237D+01 -0.979000D+00
      6  -0.133062D+02  0.615934D+01 -0.653953D+00  0.344215D+01  0.521403D+00
               136           137           138           139           140 
      1  -0.241291D+01 -0.344042D+01  0.870267D+01 -0.245227D+01 -0.392753D+01
      2  -0.409872D+01  0.391664D+00  0.514440D+01 -0.221598D+00  0.236775D+01
      3   0.651163D+01  0.304876D+01 -0.138471D+02  0.267387D+01  0.155978D+01
      4   0.645879D+01  0.432295D+01 -0.393307D+01  0.419515D+01  0.103024D+01
      5  -0.127259D+02 -0.279631D+01  0.109250D+02 -0.199226D+01 -0.222490D+01
      6  -0.512832D+01 -0.639016D+01  0.864902D+01 -0.390508D+01 -0.621932D+01
               141           142           143           144           145 
      1   0.478204D+01  0.674685D+01  0.507855D+01 -0.143793D+02  0.101045D+02
      2  -0.127372D+01  0.302268D+01 -0.444779D+00 -0.962817D+01 -0.123427D+02
      3  -0.350832D+01 -0.976953D+01 -0.463377D+01  0.240075D+02  0.223817D+01
      4  -0.228970D+01 -0.335640D+01 -0.201116D+01  0.404209D+01  0.198878D+01
      5   0.306332D+01  0.979767D+01  0.319354D+01 -0.892291D+01  0.164821D+02
      6   0.808021D+01  0.606121D+01  0.783346D+01 -0.113358D+02  0.321134D+01
               146           147           148           149           150 
      1   0.311589D+01  0.309960D+01  0.407760D+01  0.941464D+00 -0.133244D+01
      2  -0.562559D+01 -0.937057D+01 -0.674941D+01 -0.192656D+01 -0.620525D+01
      3   0.250970D+01  0.627097D+01  0.267181D+01  0.985092D+00  0.753769D+01
      4   0.501148D+01  0.575375D+00  0.481959D+01  0.417169D+01  0.218617D+01
      5   0.562909D+01  0.141140D+02  0.841464D+01  0.645759D+01  0.845888D+01
      6   0.545045D+01  0.314049D+01  0.535671D+01  0.796574D+01  0.559916D+01
               151           152           153 
      1   0.226723D+01 -0.354951D+00 -0.274961D+01
      2  -0.824624D+01 -0.411842D+01 -0.113428D+02
      3   0.597901D+01  0.447337D+01  0.140925D+02
      4   0.446909D+00  0.137667D+01  0.193453D+01
      5   0.122374D+02  0.565924D+01  0.121239D+02
      6   0.331463D+01  0.501370D+01  0.357971D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.655243D+02      0.970970D+01      0.108035D+02
   aniso      0.645828D-01      0.957018D-02      0.106483D-01
   xx         0.655234D+02      0.970956D+01      0.108033D+02
   yx        -0.432230D-02     -0.640499D-03     -0.712651D-03
   yy         0.655226D+02      0.970945D+01      0.108032D+02
   zx        -0.253164D-01     -0.375150D-02     -0.417410D-02
   zy        -0.269344D-01     -0.399127D-02     -0.444089D-02
   zz         0.655269D+02      0.971008D+01      0.108039D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199254         -1.77261301          2.27711133
     6         -2.54545340          1.37771088          0.13617653
     6          0.13192766         -1.54554824         -2.44740814
     6          2.15152906          1.94045125          0.03412953
     1         -1.25041340         -3.17768896          2.29985288
     1          0.17452129         -0.71848893          4.05005431
     1          2.06294506         -2.78069272          2.22733033
     1         -4.11526103          0.03703417          0.11598662
     1         -2.78261752          2.65548459         -1.46793640
     1         -2.69011410          2.49703054          1.86485559
     1         -1.38323256         -2.94587515         -2.52154318
     1          1.93017181         -2.54907314         -2.59353788
     1         -0.04999614         -0.32654109         -4.10361463
     1          2.10266957          3.07012064          1.76144197
     1          2.01060417          3.23088337         -1.57120856
     1          3.99110568          1.00827613         -0.06164614

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.655243D+02      0.970970D+01      0.108035D+02
   aniso      0.645828D-01      0.957018D-02      0.106483D-01
   xx         0.654919D+02      0.970489D+01      0.107981D+02
   yx         0.150220D-01      0.222603D-02      0.247679D-02
   yy         0.655470D+02      0.971307D+01      0.108072D+02
   zx         0.650616D-02      0.964113D-03      0.107272D-02
   zy        -0.170495D-01     -0.252647D-02     -0.281108D-02
   zz         0.655340D+02      0.971113D+01      0.108051D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-V09-18\Freq\RM11\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P M11/G
 en Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Polar=ROA Gues
 s=Read CPHF=RdFreq\\ROA calculations.\\0,1\C,0,-0.000018,0.000032,-0.0
 00037\C,0,1.155022,0.323679,-0.955136\C,0,-0.986772,-0.946789,-0.69352
 8\C,0,-0.721704,1.296298,0.387111\C,0,0.553456,-0.673191,1.261549\H,0,
 0.788307,0.805116,-1.864672\H,0,1.687788,-0.584146,-1.247607\H,0,1.874
 611,0.99823,-0.485358\H,0,-1.396955,-0.491517,-1.597957\H,0,-1.82196,-
 1.193991,-0.034081\H,0,-0.497996,-1.880817,-0.980249\H,0,-1.126942,1.7
 97626,-0.494914\H,0,-0.040399,1.990713,0.884223\H,0,-1.551128,1.094379
 ,1.068868\H,0,1.074043,-1.601281,1.014241\H,0,-0.249965,-0.91551,1.961
 07\H,0,1.260692,-0.018986,1.776681\\Version=ES64L-G16RevA.03\State=1-A
 \HF=-197.8718569\RMSD=4.288e-09\RMSF=8.117e-06\ZeroPoint=0.1396639\The
 rmal=0.1473156\Dipole=0.000004,-0.0000024,-0.0000029\DipoleDeriv=0.120
 0269,0.0000028,-0.0000522,-0.0000641,0.1199791,0.0000181,0.0000535,0.0
 000032,0.1199942,0.0309372,-0.0139431,0.0412147,-0.0139447,0.0768448,0
 .0114994,0.0412129,0.0115183,0.0467479,0.0444183,-0.0349009,-0.0254936
 ,-0.0348826,0.0472809,-0.0245074,-0.0255697,-0.0245488,0.0628128,0.061
 2797,0.034947,0.0104645,0.0349362,0.0180165,-0.0187366,0.0104535,-0.01
 87415,0.0751499,0.0693022,0.0139096,-0.0260949,0.0139163,0.0638241,0.0
 317239,-0.0260757,0.0316788,0.0213515,0.0148064,0.0454316,-0.0822624,0
 .0171307,0.0163166,0.0948085,-0.0234912,0.087868,-0.1126477,-0.0101679
 ,0.0645043,0.0494002,0.1157432,-0.1058418,-0.0673798,0.0422205,-0.0270
 085,0.0345414,-0.056458,-0.089795,-0.0265783,-0.1127258,-0.0285454,-0.
 0440687,-0.0782032,-0.077501,0.003516,0.0175028,0.0061987,-0.0695583,0
 .0413295,0.0065428,0.0995405,-0.0950698,0.0503731,-0.1055479,-0.087501
 8,-0.064562,0.0753088,-0.0416034,0.0394919,0.0054028,0.1269393,0.03879
 46,-0.0334883,-0.0012613,0.1087166,0.031098,0.0506419,-0.1214395,-0.06
 95767,0.0050059,-0.0537603,0.0412109,0.0244967,0.0562258,-0.0503213,0.
 0493738,-0.0085673,0.0515855,-0.083643,0.1077179,-0.097419,-0.0401725,
 -0.1099445,-0.0777071,-0.051837,-0.0540567,-0.0671476,-0.0515798,-0.08
 29143,0.0127244,-0.0799842,0.0032807,0.1129697,-0.047947,0.029471,0.04
 26126,0.1201497,0.002255,-0.0309536,0.0060573,0.0977345,0.0003304,0.10
 4588,-0.1139363,-0.0083208,0.0336285,-0.0644155,0.0263727,-0.0734563,-
 0.0469948,0.131193,-0.0186595,0.0461977,0.0415201,0.0723963,0.0484525,
 -0.05427,-0.0398254,-0.0708113,-0.0939111,-0.1059955,-0.0315783,-0.078
 9737,-0.0684276,-0.0297717,-0.0100951\Polar=63.3545608,0.0001212,63.35
 41323,0.000333,-0.0002641,63.3545492\Quadrupole=-0.0000654,0.0000364,0
 .000029,0.0000017,0.0000088,-0.0000159\PG=C01 [X(C5H12)]\NImag=0\\0.48
 647198,-0.00016835,0.48644060,0.00002094,0.00011916,0.48629119,-0.1286
 2908,-0.01484995,0.04377201,0.50418181,-0.01475215,-0.07988626,0.01218
 280,-0.01864296,0.56566100,0.04371312,0.01227704,-0.11186680,0.0551508
 3,0.01540941,0.52532129,-0.11428565,-0.03700582,-0.02711243,-0.0263452
 0,-0.02100441,-0.00853688,0.52215773,-0.03705994,-0.11129911,-0.026062
 76,-0.01135471,-0.00782177,-0.00158782,-0.04670395,0.52610450,-0.02713
 295,-0.02603696,-0.09479733,0.01315527,0.01244965,0.00909582,-0.034198
 96,-0.03281450,0.54682962,-0.09641997,0.03709294,0.01107272,-0.0195922
 4,0.02376134,0.01229694,0.00976472,-0.01768789,-0.00536501,0.54483872,
 0.03711342,-0.14241105,-0.01991212,0.00223766,0.00367015,-0.00224694,0
 .00671421,-0.02858589,-0.01113665,0.04682944,0.48687876,0.01106965,-0.
 01992721,-0.08172129,0.01530863,-0.01920301,-0.00914325,0.00561106,-0.
 01776997,-0.00622842,0.01397540,-0.02505924,0.56342880,-0.08785190,0.0
 1480033,-0.02771812,0.00807552,-0.01147793,0.02190347,-0.01292597,0.00
 733038,-0.02371039,-0.00912329,0.01280046,-0.01441986,0.55551486,0.014
 79471,-0.09370439,0.03367862,0.00043413,-0.00513121,0.01103208,-0.0074
 5797,0.00873885,-0.01659189,0.01568037,-0.02098750,0.02529738,0.018602
 85,0.54824540,-0.02763094,0.03365285,-0.13875589,-0.00282195,0.0139565
 3,-0.02803664,-0.01299973,0.00409110,-0.02090527,-0.00043027,0.0017121
 2,0.00505022,-0.03491975,0.04243135,0.49125453,0.00810327,-0.01102329,
 0.02046595,-0.07874463,0.04017104,-0.07568997,0.00144633,0.00015876,0.
 00073014,0.00123668,-0.00082520,0.00006392,-0.00363469,-0.00091314,0.0
 0278745,0.08456750,0.00275654,-0.00475084,0.00552005,0.03942883,-0.096
 99443,0.09340878,0.00084105,-0.00000176,0.00049211,0.00010880,0.000339
 77,-0.00090784,-0.00189770,-0.00000910,0.00049513,-0.04320263,0.101993
 31,-0.00810586,0.00887563,-0.01819818,-0.07415409,0.09326312,-0.222742
 85,-0.00117654,-0.00065609,0.00053022,-0.00138988,0.00062139,0.0004041
 4,0.00483276,0.00025368,-0.00170456,0.08026360,-0.10467344,0.24403415,
 -0.01284825,0.02152799,0.00574176,-0.10548270,0.10240114,0.03145971,0.
 00090562,0.00165838,-0.00004996,-0.00366417,-0.00258232,0.00325274,0.0
 0058217,0.00056649,-0.00124834,-0.00592362,0.00912215,0.00303866,0.114
 74688,-0.00345145,0.00459211,0.00182420,0.10379346,-0.22867482,-0.0563
 6014,-0.00030249,0.00072559,0.00032965,-0.00079954,0.00094324,0.000498
 46,-0.00039462,0.00052485,0.00008091,0.00571363,-0.01156103,-0.0035739
 3,-0.11377659,0.24802030,0.00924868,-0.01784400,-0.00649844,0.03123951
 ,-0.05525354,-0.06420945,-0.00103850,-0.00039498,0.00034312,0.00300289
 ,0.00190197,-0.00262638,0.00016375,-0.00150228,0.00085680,-0.01262879,
 0.02296270,0.00814468,-0.03789669,0.06139389,0.06763781,-0.01715937,-0
 .01529409,-0.01201489,-0.15537114,-0.10266551,-0.07368111,-0.00338126,
 -0.00012683,0.00464789,0.00073980,-0.00101491,-0.00136659,0.00063131,0
 .00053754,-0.00133262,-0.00756926,-0.00660840,-0.00461931,0.01121532,0
 .00936783,0.00734979,0.17026307,-0.00415938,-0.00591533,-0.00333235,-0
 .10324274,-0.14534062,-0.07010038,-0.00092487,0.00029698,0.00200253,0.
 00091710,0.00047343,-0.00001009,-0.00008098,-0.00007402,-0.00086677,0.
 01006212,0.00978739,0.00601545,-0.01805252,-0.01628657,-0.01185205,0.1
 1556372,0.15571378,0.01309514,0.01291564,0.00825513,-0.07503578,-0.070
 98164,-0.09777830,0.00285336,0.00083999,-0.00226345,-0.00030656,0.0007
 0884,0.00076713,0.00054532,0.00031748,0.00141833,-0.01649868,-0.017263
 57,-0.01156665,-0.00495593,-0.00422675,-0.00427590,0.07978467,0.077491
 91,0.10465186,-0.00898759,0.00996877,-0.01736309,0.00077928,0.00122552
 ,-0.00095741,-0.08151685,0.04031524,-0.07712704,0.00039691,0.00098059,
 0.00066745,-0.00271832,-0.00362600,-0.00118197,-0.00018335,-0.00058006
 ,0.00058971,-0.00009598,-0.00000234,-0.00002286,0.00032849,-0.00003437
 ,0.00029519,0.08710044,-0.00713681,0.00788233,-0.01696855,0.00057080,0
 .00070948,-0.00052643,0.04123927,-0.09474475,0.09210445,-0.00036460,0.
 00142485,-0.00055827,-0.00240130,-0.00223912,-0.00173131,0.00004718,0.
 00008195,0.00019511,-0.00001567,-0.00009497,0.00016399,0.00027400,0.00
 006522,-0.00012019,-0.04292727,0.10122218,-0.00494273,0.00697503,-0.01
 371255,0.00102483,0.00046930,0.00047856,-0.07780606,0.09081221,-0.2221
 2629,0.00013681,0.00124798,0.00014419,-0.00206555,-0.00344205,-0.00039
 047,-0.00027405,-0.00023955,0.00073777,0.00000639,-0.00007916,0.000001
 55,0.00014132,-0.00021848,0.00015597,0.08808567,-0.09982373,0.24215408
 ,-0.01729901,-0.00394313,0.01370837,-0.00206049,-0.00297798,-0.0036937
 5,-0.19466351,-0.04225850,0.11936748,0.00053438,0.00121976,0.00056890,
 0.00047035,0.00021383,0.00156978,0.00023744,-0.00002345,0.00011479,0.0
 0041013,0.00011537,-0.00021080,-0.00109418,-0.00070632,0.00093761,0.01
 025620,0.00241114,-0.00739380,0.21300689,-0.01509556,-0.00560060,0.013
 27455,-0.00218189,-0.00260513,-0.00269724,-0.04164661,-0.05920690,0.03
 398171,-0.00069471,0.00090610,0.00131742,0.00081309,0.00032457,0.00072
 667,0.00027764,0.00010611,-0.00027867,-0.00022984,0.00026483,0.0000577
 7,-0.00136698,0.00005381,0.00067236,-0.01098917,-0.00360928,0.00822506
 ,0.04923521,0.06201786,-0.01140595,-0.00299015,0.00810459,-0.00189628,
 -0.00153345,-0.00068369,0.12074507,0.03486882,-0.14462892,-0.00036469,
 0.00038257,0.00053932,-0.00044086,-0.00024676,0.00120363,-0.00007859,-
 0.00031206,0.00020611,-0.00011749,0.00002610,-0.00012524,-0.00054850,-
 0.00029017,0.00078718,0.02034914,0.00476967,-0.01599057,-0.13164978,-0
 .03666588,0.15556125,0.00900266,-0.01806291,-0.00521170,0.00139007,-0.
 00044561,-0.00041742,-0.10192018,0.10182011,0.03091110,-0.00241011,-0.
 00244874,-0.00175679,0.00092982,-0.00049243,0.00056279,-0.00011063,0.0
 0002608,0.00008576,-0.00014655,0.00017043,0.00003969,0.00025098,0.0002
 3022,-0.00006145,-0.00596496,0.00901827,0.00332580,-0.01119386,0.02087
 586,0.00509394,0.10936790,0.01022964,-0.01848874,-0.00477647,0.0014985
 4,0.00037097,-0.00007372,0.10026616,-0.23245954,-0.05589103,-0.0044695
 3,-0.00159728,-0.00193334,0.00087619,0.00052767,0.00101762,-0.00003166
 ,-0.00008586,-0.00002847,-0.00095024,0.00034991,0.00039671,-0.00012364
 ,0.00045143,0.00007677,0.00595048,-0.01145738,-0.00342540,-0.00327882,
 0.00717006,0.00165545,-0.10977992,0.25481720,0.00747976,-0.01245689,-0
 .00531523,0.00048729,0.00080336,0.00019208,0.03021128,-0.05546981,-0.0
 6403507,-0.00266548,-0.00138690,-0.00134160,0.00115675,-0.00075454,0.0
 0052081,-0.00011043,0.00010773,0.00000277,-0.00015049,0.00014999,0.000
 42365,-0.00000707,0.00011061,-0.00015434,-0.01246071,0.02308103,0.0080
 8076,0.00865481,-0.01745479,-0.00531939,-0.03220387,0.06377085,0.06633
 519,-0.00714260,0.00639507,-0.01306420,0.00045826,-0.00005761,-0.00141
 194,0.00025648,-0.00101145,-0.00001600,-0.08139496,0.04169485,-0.07622
 955,-0.00136345,0.00268965,0.00185679,-0.00010847,0.00002730,0.0007253
 8,0.00022935,-0.00026316,0.00018334,-0.00008856,0.00004541,-0.00004339
 ,0.00049084,0.00003285,0.00025553,0.00001078,-0.00002259,0.00014088,-0
 .00012577,-0.00010621,0.00011878,0.08574000,0.00971480,-0.01323846,0.0
 2356172,-0.00108791,0.00076682,0.00099910,0.00041356,0.00114118,0.0016
 1857,0.04152224,-0.09813983,0.09314163,0.00245209,-0.00473957,-0.00297
 663,0.00027520,0.00040318,-0.00071289,-0.00034674,0.00006238,-0.000139
 46,0.00000729,-0.00000183,-0.00015461,-0.00041441,-0.00018773,-0.00088
 398,-0.00002053,-0.00009476,-0.00003365,-0.00008482,0.00043502,-0.0002
 3535,-0.04886973,0.10749711,0.00313321,-0.00377811,0.00562006,0.000115
 50,-0.00041303,0.00077184,0.00036062,-0.00017248,0.00057305,-0.0771216
 5,0.09465023,-0.21887943,0.00069874,-0.00102403,0.00075547,-0.00019384
 ,-0.00007335,0.00032276,-0.00013018,0.00001445,0.00025885,0.00003010,0
 .00007671,-0.00009830,0.00017121,0.00019015,0.00032251,-0.00010011,0.0
 0001515,-0.00010672,0.00012847,0.00012272,0.00024057,0.08457731,-0.103
 23661,0.23718813,0.00887522,0.00958671,0.00719484,0.00116884,0.0004673
 0,0.00008602,-0.00075166,0.00237808,0.00086407,-0.15119913,-0.10308753
 ,-0.07453426,0.00068868,-0.00004471,0.00053350,-0.00010506,-0.00007158
 ,0.00003802,0.00024493,-0.00008272,-0.00016239,0.00004937,0.00001224,-
 0.00011695,-0.00009120,0.00004648,0.00017174,0.00014516,0.00029379,-0.
 00012376,0.00079948,0.00057361,0.00030106,-0.00767297,-0.00672761,-0.0
 0435074,0.16289668,-0.01869099,-0.01819877,-0.01248527,-0.00138314,0.0
 0077800,0.00072458,0.00439839,-0.00446900,-0.00081776,-0.10154852,-0.1
 4712947,-0.07241863,-0.00152367,0.00095510,-0.00083588,0.00013013,-0.0
 0000021,0.00001703,0.00009981,0.00017307,0.00036182,0.00084639,0.00050
 322,-0.00017241,0.00003429,0.00025972,-0.00012860,0.00019382,0.0002851
 1,0.00023806,-0.00109953,-0.00125629,-0.00115161,0.00983587,0.00999251
 ,0.00607946,0.11134355,0.16201701,-0.00551874,-0.00479522,-0.00539179,
 -0.00104733,-0.00012478,0.00003836,0.00177386,-0.00136668,-0.00012757,
 -0.07383771,-0.07284469,-0.10013246,0.00016627,0.00091432,0.00032655,-
 0.00005784,-0.00008314,-0.00008390,0.00013643,0.00028674,0.00013219,0.
 00067465,0.00001411,0.00005340,0.00024971,0.00022219,0.00038057,-0.000
 25247,-0.00008127,0.00012019,-0.00045165,-0.00069721,0.00020409,-0.016
 56173,-0.01711475,-0.01166020,0.08166827,0.08218996,0.10553292,-0.0131
 5244,-0.00385091,0.00951662,-0.00068690,0.00399528,-0.00001354,0.00046
 266,-0.00091827,-0.00065944,-0.19389433,-0.03869843,0.12089902,0.00017
 402,-0.00114492,0.00063649,0.00017140,-0.00013977,0.00008571,-0.000681
 02,-0.00000235,0.00104112,0.00045176,0.00003630,-0.00021705,0.00001025
 ,0.00006906,-0.00005733,0.00070632,0.00033506,0.00003931,0.00009574,0.
 00010052,-0.00024813,0.01020607,0.00214898,-0.00756604,-0.01524534,-0.
 00370378,0.01275160,0.21089004,0.02106541,0.00513283,-0.01753990,0.002
 21424,-0.00482758,-0.00106840,0.00090634,0.00155350,-0.00005860,-0.040
 04163,-0.05728538,0.03292960,-0.00005595,0.00134923,-0.00098802,-0.000
 18192,-0.00007123,-0.00013417,0.00147329,0.00044913,-0.00113378,0.0001
 7795,0.00001508,0.00020640,-0.00012035,-0.00010565,-0.00000086,-0.0004
 2407,-0.00027254,0.00012996,-0.00003298,0.00025464,0.00031591,-0.01119
 819,-0.00351303,0.00803810,-0.01436514,-0.00431701,0.01337806,0.041123
 49,0.06170475,0.00603125,0.00210012,-0.00677902,0.00023487,-0.00247111
 ,0.00016599,0.00042120,0.00085690,-0.00004293,0.12108453,0.03186025,-0
 .14719241,-0.00085179,0.00040040,0.00044923,-0.00025739,-0.00003696,0.
 00044860,0.00083438,0.00002873,-0.00002111,0.00011207,0.00018815,0.000
 08259,0.00009724,0.00000146,-0.00009336,-0.00042028,-0.00062009,0.0001
 5942,-0.00030890,-0.00001116,0.00019933,0.02024524,0.00493105,-0.01603
 385,-0.01169535,-0.00242947,0.01021299,-0.13532390,-0.03453538,0.15789
 698,-0.00722028,0.00992400,0.00344304,0.00031255,-0.00081850,0.0005396
 1,0.00016309,0.00074334,0.00097165,-0.00057804,0.00038929,-0.00288071,
 -0.10477070,0.10277211,0.02923825,-0.00008249,-0.00014090,-0.00008939,
 0.00049292,-0.00010576,-0.00008429,0.00001117,-0.00009632,-0.00007030,
 0.00019646,-0.00031920,0.00003670,-0.00008960,0.00008390,-0.00000119,0
 .00001342,-0.00046288,-0.00058728,0.00002672,0.00104246,0.00003982,0.0
 0015639,0.00019800,0.00014762,0.00036053,-0.00032495,-0.00012115,0.111
 20861,0.00659329,-0.01366612,-0.00422876,0.00028995,0.00012978,-0.0011
 7943,-0.00075976,0.00047801,-0.00081102,0.00062862,-0.00024562,0.00392
 414,0.10295793,-0.23157967,-0.05231943,-0.00019545,0.00038336,0.000055
 99,-0.00055145,0.00036677,0.00071591,0.00005302,-0.00009301,0.00002322
 ,-0.00020160,0.00017638,0.00015164,-0.00003255,-0.00000185,0.00006827,
 0.00019193,0.00073867,0.00031199,0.00084518,-0.00080322,-0.00009115,-0
 .00014870,0.00046820,0.00000781,0.00000764,0.00017756,-0.00015584,-0.1
 1546699,0.25258140,-0.01276734,0.02308092,0.00606440,-0.00078675,0.000
 34982,0.00151030,0.00040544,0.00085408,0.00132940,-0.00172389,0.001972
 90,-0.00452469,0.03012393,-0.05381408,-0.06205806,-0.00008643,-0.00029
 866,0.00024775,0.00032568,-0.00026538,-0.00024331,0.00011312,-0.000038
 01,-0.00010814,0.00033743,-0.00000571,0.00017676,-0.00001631,-0.000147
 25,-0.00009874,0.00001392,-0.00040694,-0.00014207,-0.00091894,0.001525
 32,0.00052365,0.00020862,0.00007602,-0.00007510,-0.00024679,-0.0001152
 9,0.00001020,-0.03109752,0.05657576,0.06676237,0.00775159,0.00250357,-
 0.00751277,0.00012946,0.00083531,-0.00176449,0.00090767,0.00033224,-0.
 00026763,0.00069945,-0.00017364,-0.00039352,-0.19051240,-0.04177376,0.
 12173566,0.00068899,0.00014286,-0.00030868,0.00000497,-0.00007515,-0.0
 0024181,0.00011271,0.00028292,-0.00011088,0.00024533,0.00007744,0.0001
 4301,0.00018354,0.00010744,0.00008420,-0.00010445,-0.00008669,0.000019
 61,0.00021682,-0.00020192,-0.00003539,-0.00011017,0.00004380,0.0001007
 0,0.00022712,-0.00017627,-0.00001368,-0.01128651,-0.00351720,0.0084968
 8,0.20611606,-0.01128252,-0.00463058,0.00869642,0.00182094,-0.00128482
 ,0.00223076,-0.00013361,0.00016631,-0.00089312,-0.00132653,0.00055195,
 0.00029462,-0.04102797,-0.05916747,0.03455539,-0.00067274,0.00027198,0
 .00092940,-0.00019734,0.00024984,0.00018511,0.00034984,0.00017738,-0.0
 0019925,0.00002880,-0.00016223,-0.00008665,0.00017915,0.00039577,-0.00
 009125,0.00014335,-0.00000011,-0.00006050,0.00010556,0.00017944,-0.000
 29890,-0.00004341,-0.00007992,0.00004811,0.00061562,-0.00014945,-0.000
 04708,0.02075544,0.00712915,-0.01759621,0.04514665,0.06082891,0.021069
 92,0.00533303,-0.01796817,-0.00380958,0.00247403,-0.00419324,0.0017183
 5,0.00018924,0.00091343,0.00096827,-0.00119023,0.00074194,0.12018702,0
 .03474159,-0.14878901,0.00138445,0.00072970,-0.00121356,-0.00026996,-0
 .00015103,0.00029516,0.00003084,0.00012385,0.00025912,-0.00020695,-0.0
 0002496,0.00046629,-0.00101656,-0.00036464,0.00002795,-0.00004538,-0.0
 0000518,-0.00008562,-0.00022180,-0.00029717,0.00015409,-0.00012777,0.0
 0002589,0.00000282,-0.00068794,0.00043182,0.00053548,0.00527933,0.0014
 2621,-0.00518646,-0.13274215,-0.04085020,0.16363810,-0.00920858,-0.007
 60093,-0.00493907,0.00041661,-0.00001427,0.00101680,-0.00027401,0.0023
 8501,-0.00212023,0.00006559,-0.00114890,0.00016452,-0.15416601,-0.1008
 3874,-0.07635514,0.00001058,0.00021087,0.00006936,0.00000998,0.0000954
 4,0.00001735,0.00060977,0.00014746,-0.00009431,-0.00024597,-0.00062164
 ,-0.00078825,0.00043945,0.00020537,0.00017456,0.00012643,-0.00020555,0
 .00000412,0.00026146,0.00017704,0.00024299,0.00015078,0.00082558,0.000
 05836,-0.00009588,-0.00003928,-0.00006832,0.01108576,0.00930614,0.0076
 1897,-0.01527018,-0.01446123,-0.01151010,0.16608422,0.00952933,0.00774
 238,0.00644867,0.00045476,0.00048043,-0.00024124,0.00116048,-0.0006162
 1,0.00207286,0.00039211,0.00119376,0.00038435,-0.10177319,-0.14303362,
 -0.07300163,0.00021035,0.00010740,-0.00016914,-0.00014654,-0.00010462,
 -0.00001977,0.00002276,0.00017366,-0.00013420,0.00039188,0.00077900,0.
 00044726,0.00009709,-0.00013315,0.00002444,-0.00002930,0.00022964,0.00
 031892,-0.00014279,0.00024078,-0.00009931,-0.00013036,0.00001873,0.000
 04644,0.00002647,-0.00009486,-0.00005996,-0.01817304,-0.01623979,-0.01
 174729,-0.00346762,-0.00447618,-0.00259194,0.11157762,0.15373264,-0.01
 735717,-0.01750088,-0.01333069,-0.00093698,-0.00137744,0.00107999,-0.0
 0123114,0.00378276,-0.00445939,0.00066756,-0.00128149,0.00071419,-0.07
 565169,-0.07169126,-0.10119566,0.00018049,0.00017236,0.00043073,0.0000
 2330,0.00002327,-0.00009399,0.00068565,0.00068500,-0.00018562,-0.00152
 271,-0.00096890,-0.00078575,-0.00016787,0.00003915,0.00024363,0.000295
 69,0.00020881,0.00019408,0.00036430,0.00000770,0.00004752,0.00004506,0
 .00072681,0.00046695,0.00005031,0.00014455,0.00000187,-0.00476417,-0.0
 0447532,-0.00418826,0.01281096,0.01318334,0.01040168,0.08650841,0.0783
 2154,0.11065874\\-0.00001685,0.00003716,-0.00002638,-0.00000136,-0.000
 00752,-0.00000369,-0.00000473,-0.00000825,0.00001537,0.00000828,-0.000
 00016,-0.00000344,0.00000213,0.00000141,-0.00000097,-0.00000017,-0.000
 00426,0.00000470,0.00000911,-0.00000407,-0.00000189,-0.00000553,-0.000
 00082,0.00000288,0.00000135,-0.00000144,0.00000036,-0.00000328,0.00000
 129,-0.00000363,0.00000228,0.00000146,0.00000056,-0.00000177,0.0000013
 2,0.00000286,-0.00000368,-0.00000154,0.00000115,0.00000835,-0.00000837
 ,0.00000010,0.00000034,-0.00000030,0.00000124,0.00000159,-0.00000631,0
 .00000691,0.00000393,0.00000041,0.00000388\\\@


 YOU SHOULDN'T LET PEOPLE DRIVE YOU CRAZY
 WHEN YOU KNOW IT'S WITHIN WALKING DISTANCE.
 Job cpu time:       0 days  0 hours 58 minutes 30.9 seconds.
 Elapsed time:       0 days  0 hours  7 minutes 20.1 seconds.
 File lengths (MBytes):  RWF=    100 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:56:59 2022.
